 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer017_STD_B3LYPDBJ_def2SVPD.in
 Output=08_d-glucose_conformer017_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-15005.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15006.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer017_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:16:48 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer017_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.103833000000      1.009818000000     -0.209983000000
  C                                                -1.570306000000     -0.369923000000      0.212697000000
  C                                                 0.324123000000      1.253641000000      0.249838000000
  C                                                 1.222830000000      0.121513000000     -0.240321000000
  O                                                 0.705145000000     -1.138942000000      0.208674000000
  C                                                -0.586536000000     -1.430137000000     -0.281880000000
  O                                                -1.910414000000      2.042418000000      0.340859000000
  H                                                -1.128218000000      1.062960000000     -1.306660000000
  O                                                -2.866006000000     -0.568325000000     -0.328582000000
  H                                                -1.596077000000     -0.416660000000      1.310841000000
  H                                                 0.337357000000      1.266229000000      1.348141000000
  O                                                 0.825986000000      2.473522000000     -0.265600000000
  C                                                 2.640265000000      0.211823000000      0.287234000000
  H                                                 1.248854000000      0.130962000000     -1.337420000000
  O                                                -0.950649000000     -2.709583000000      0.142334000000
  H                                                -0.589437000000     -1.463330000000     -1.377835000000
  H                                                -2.823047000000      1.880045000000      0.074037000000
  H                                                -3.125518000000     -1.481971000000     -0.157714000000
  H                                                 0.162268000000      3.152342000000     -0.090965000000
  O                                                 3.454334000000     -0.829331000000     -0.219954000000
  H                                                 2.611068000000      0.195309000000      1.384726000000
  H                                                 3.082358000000      1.154012000000     -0.031043000000
  H                                                -0.805281000000     -2.757294000000      1.097051000000
  H                                                 2.999252000000     -1.661081000000     -0.040522000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:16:48 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516556   0.000000
     3  C    1.519850   2.495236   0.000000
     4  C    2.490656   2.871993   1.526317   0.000000
     5  O    2.839867   2.401892   2.423082   1.434692   0.000000
     6  C    2.495225   1.528549   2.883520   2.383936   1.412047
     7  O    1.421359   2.439567   2.371415   3.720869   4.120640
     8  H    1.098235   2.134723   2.137367   2.747877   3.241270
     9  O    2.368513   1.418162   3.719012   4.147559   3.656141
    10  H    2.142440   1.099440   2.757318   3.262203   2.651808
    11  H    2.137879   2.757790   1.098455   2.148871   2.686727
    12  O    2.422751   3.749155   1.416211   2.385387   3.645468
    13  C    3.860349   4.251222   2.539940   1.515121   2.361234
    14  H    2.752933   3.255981   2.152887   1.097448   2.073326
    15  O    3.739189   2.421350   4.164582   3.589643   2.283192
    16  H    2.782974   2.165048   3.296338   2.662701   2.073205
    17  H    1.947732   2.578942   3.213715   4.422711   4.645487
    18  H    3.209198   1.947444   4.421504   4.635312   3.863404
    19  H    2.491503   3.937051   1.935823   3.214502   4.335853
    20  O    4.915227   5.064114   3.789155   2.425722   2.799575
    21  H    4.123956   4.379158   2.763721   2.138558   2.606888
    22  H    4.192494   4.901945   2.774289   2.137217   3.311532
    23  H    3.998575   2.658361   4.252167   3.766872   2.385302
    24  H    4.898747   4.755215   3.966892   2.524527   2.365936
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.768169   0.000000
     8  H    2.749386   2.070142   0.000000
     9  O    2.437393   2.859595   2.576361   0.000000
    10  H    2.140810   2.662093   3.042939   2.079286   0.000000
    11  H    3.283434   2.582549   3.039276   4.054445   2.563528
    12  O    4.151390   2.835759   2.625339   4.784099   4.087139
    13  C    3.664992   4.905368   4.179282   5.595255   4.403335
    14  H    2.630561   4.056015   2.553436   4.294046   3.925151
    15  O    1.396251   4.852018   4.045145   2.911244   2.653202
    16  H    1.096461   4.121791   2.584084   2.661716   3.055785
    17  H    4.010731   0.964602   2.333752   2.481625   2.882706
    18  H    2.542545   3.761166   3.433068   0.965034   2.372916
    19  H    4.647179   2.390484   2.740216   4.803152   4.218366
    20  O    4.085760   6.110808   5.075577   6.326660   5.293419
    21  H    3.955290   4.994524   4.688138   5.789378   4.252062
    22  H    4.494611   5.084815   4.400504   6.199839   5.114237
    23  H    1.926304   4.983009   4.525092   3.327251   2.479845
    24  H    3.601314   6.161670   5.104852   5.973135   4.948921
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073759   0.000000
    13  C    2.746030   2.951697   0.000000
    14  H    3.054815   2.610594   2.140576   0.000000
    15  O    4.349714   5.494308   4.631444   3.885380   0.000000
    16  H    3.967415   4.328890   4.001196   2.433663   1.998633
    17  H    3.462407   3.712548   5.716310   4.651008   4.957340
    18  H    4.670300   5.592133   6.025875   4.809198   2.515376
    19  H    2.378887   0.965306   3.863956   3.444279   5.971196
    20  O    4.070115   4.221272   1.415609   2.652364   4.803173
    21  H    2.513557   3.331718   1.098004   3.044642   4.761067
    22  H    3.074048   2.624374   1.088332   2.472850   5.587716
    23  H    4.190156   5.646174   4.619875   4.299784   0.966899
    24  H    4.193234   4.676397   1.934959   2.820861   4.090784
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.274939   0.000000
    18  H    2.814383   3.383541   0.000000
    19  H    4.850312   3.249319   5.682504   0.000000
    20  O    4.253790   6.843439   6.612433   5.167984   0.000000
    21  H    4.541592   5.838309   6.172585   4.113190   2.082302
    22  H    4.705997   5.950796   6.745530   3.538904   2.026747
    23  H    2.801070   5.159734   2.929912   6.105025   4.857557
    24  H    3.834866   6.815560   6.128509   5.587492   0.964937
                   21         22         23         24
    21  H    0.000000
    22  H    1.773592   0.000000
    23  H    4.524606   5.628912   0.000000
    24  H    2.372383   2.816335   4.119493   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1677891           0.7918127           0.4931779
 Leave Link  202 at Thu Aug 12 20:16:48 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       826.0583429574 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0393451555 Hartrees.
 Nuclear repulsion after empirical dispersion term =      826.0189978020 Hartrees.
 Leave Link  301 at Thu Aug 12 20:16:49 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.43D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Thu Aug 12 20:16:50 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:16:50 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer017_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:16:51 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.762068065200    
 DIIS: error= 2.60D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.762068065200     IErMin= 1 ErrMin= 2.60D-03
 ErrMax= 2.60D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-02 BMatP= 1.69D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.60D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.287 Goal=   None    Shift=    0.000
 GapD=    0.287 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.31D-03 MaxDP=3.32D-01              OVMax= 2.19D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.28D-03    CP:  1.03D+00
 E= -686.777678169084     Delta-E=       -0.015610103884 Rises=F Damp=F
 DIIS: error= 7.28D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.777678169084     IErMin= 2 ErrMin= 7.28D-04
 ErrMax= 7.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-03 BMatP= 1.69D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.28D-03
 Coeff-Com:  0.972D-01 0.903D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.965D-01 0.904D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=3.34D-04 MaxDP=1.43D-02 DE=-1.56D-02 OVMax= 8.04D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.83D-04    CP:  1.04D+00  1.03D+00
 E= -686.777292257721     Delta-E=        0.000385911363 Rises=F Damp=F
 DIIS: error= 1.07D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -686.777678169084     IErMin= 2 ErrMin= 7.28D-04
 ErrMax= 1.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-03 BMatP= 1.32D-03
 IDIUse=3 WtCom= 2.34D-01 WtEn= 7.66D-01
 Coeff-Com: -0.189D-01 0.556D+00 0.463D+00
 Coeff-En:   0.000D+00 0.570D+00 0.430D+00
 Coeff:     -0.442D-02 0.566D+00 0.438D+00
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=1.61D-04 MaxDP=8.33D-03 DE= 3.86D-04 OVMax= 4.73D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.15D-04    CP:  1.04D+00  1.04D+00  6.72D-01
 E= -686.778697682321     Delta-E=       -0.001405424599 Rises=F Damp=F
 DIIS: error= 1.29D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.778697682321     IErMin= 4 ErrMin= 1.29D-04
 ErrMax= 1.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-05 BMatP= 1.32D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.29D-03
 Coeff-Com: -0.122D-01 0.273D+00 0.226D+00 0.513D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.121D-01 0.273D+00 0.226D+00 0.513D+00
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=3.93D-05 MaxDP=1.65D-03 DE=-1.41D-03 OVMax= 6.58D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.59D-05    CP:  1.04D+00  1.04D+00  6.58D-01  9.31D-01
 E= -686.778717915040     Delta-E=       -0.000020232719 Rises=F Damp=F
 DIIS: error= 2.65D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.778717915040     IErMin= 5 ErrMin= 2.65D-05
 ErrMax= 2.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.22D-07 BMatP= 2.18D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-02 0.199D-01 0.171D-01 0.153D+00 0.812D+00
 Coeff:     -0.157D-02 0.199D-01 0.171D-01 0.153D+00 0.812D+00
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=7.81D-06 MaxDP=2.67D-04 DE=-2.02D-05 OVMax= 1.28D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.40D-06    CP:  1.04D+00  1.04D+00  6.71D-01  9.58D-01  9.39D-01
 E= -686.778718505016     Delta-E=       -0.000000589976 Rises=F Damp=F
 DIIS: error= 4.97D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.778718505016     IErMin= 6 ErrMin= 4.97D-06
 ErrMax= 4.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.12D-08 BMatP= 6.22D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-03-0.284D-02-0.210D-02 0.427D-01 0.355D+00 0.608D+00
 Coeff:     -0.179D-03-0.284D-02-0.210D-02 0.427D-01 0.355D+00 0.608D+00
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=2.17D-06 MaxDP=6.88D-05 DE=-5.90D-07 OVMax= 4.67D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.46D-06    CP:  1.04D+00  1.04D+00  6.70D-01  9.63D-01  9.57D-01
                    CP:  7.54D-01
 E= -686.778718553008     Delta-E=       -0.000000047992 Rises=F Damp=F
 DIIS: error= 2.65D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.778718553008     IErMin= 7 ErrMin= 2.65D-06
 ErrMax= 2.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-08 BMatP= 7.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-03-0.413D-02-0.343D-02 0.486D-02 0.104D+00 0.354D+00
 Coeff-Com:  0.544D+00
 Coeff:      0.107D-03-0.413D-02-0.343D-02 0.486D-02 0.104D+00 0.354D+00
 Coeff:      0.544D+00
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=6.07D-07 MaxDP=2.39D-05 DE=-4.80D-08 OVMax= 1.83D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.83D-07    CP:  1.04D+00  1.04D+00  6.70D-01  9.63D-01  9.61D-01
                    CP:  7.86D-01  8.27D-01
 E= -686.778718564823     Delta-E=       -0.000000011814 Rises=F Damp=F
 DIIS: error= 5.68D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.778718564823     IErMin= 8 ErrMin= 5.68D-07
 ErrMax= 5.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.78D-10 BMatP= 1.66D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.573D-04-0.182D-02-0.155D-02 0.116D-03 0.330D-01 0.148D+00
 Coeff-Com:  0.281D+00 0.542D+00
 Coeff:      0.573D-04-0.182D-02-0.155D-02 0.116D-03 0.330D-01 0.148D+00
 Coeff:      0.281D+00 0.542D+00
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=1.75D-07 MaxDP=6.09D-06 DE=-1.18D-08 OVMax= 4.29D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.49D-07    CP:  1.04D+00  1.04D+00  6.70D-01  9.64D-01  9.60D-01
                    CP:  7.89D-01  8.31D-01  8.53D-01
 E= -686.778718565413     Delta-E=       -0.000000000590 Rises=F Damp=F
 DIIS: error= 1.38D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.778718565413     IErMin= 9 ErrMin= 1.38D-07
 ErrMax= 1.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.79D-11 BMatP= 7.78D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-04-0.243D-03-0.227D-03-0.587D-03 0.658D-03 0.177D-01
 Coeff-Com:  0.509D-01 0.233D+00 0.699D+00
 Coeff:      0.106D-04-0.243D-03-0.227D-03-0.587D-03 0.658D-03 0.177D-01
 Coeff:      0.509D-01 0.233D+00 0.699D+00
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=5.27D-08 MaxDP=1.39D-06 DE=-5.90D-10 OVMax= 1.03D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.17D-08    CP:  1.04D+00  1.04D+00  6.70D-01  9.64D-01  9.60D-01
                    CP:  7.92D-01  8.35D-01  8.62D-01  8.52D-01
 E= -686.778718565497     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 5.95D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.778718565497     IErMin=10 ErrMin= 5.95D-08
 ErrMax= 5.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.62D-12 BMatP= 4.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.200D-05-0.163D-04-0.240D-04-0.310D-03-0.166D-02 0.268D-03
 Coeff-Com:  0.930D-02 0.835D-01 0.340D+00 0.569D+00
 Coeff:      0.200D-05-0.163D-04-0.240D-04-0.310D-03-0.166D-02 0.268D-03
 Coeff:      0.930D-02 0.835D-01 0.340D+00 0.569D+00
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=1.37D-08 MaxDP=4.22D-07 DE=-8.46D-11 OVMax= 3.84D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.03D-08    CP:  1.04D+00  1.04D+00  6.70D-01  9.64D-01  9.60D-01
                    CP:  7.92D-01  8.38D-01  8.68D-01  8.63D-01  8.85D-01
 E= -686.778718565501     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 1.94D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -686.778718565501     IErMin=11 ErrMin= 1.94D-08
 ErrMax= 1.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.12D-13 BMatP= 4.62D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.902D-07 0.190D-04 0.131D-04-0.105D-03-0.103D-02-0.205D-02
 Coeff-Com: -0.123D-02 0.175D-01 0.100D+00 0.321D+00 0.565D+00
 Coeff:     -0.902D-07 0.190D-04 0.131D-04-0.105D-03-0.103D-02-0.205D-02
 Coeff:     -0.123D-02 0.175D-01 0.100D+00 0.321D+00 0.565D+00
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=4.42D-09 MaxDP=1.81D-07 DE=-3.87D-12 OVMax= 1.28D-07

 SCF Done:  E(RB3LYP) =  -686.778718566     A.U. after   11 cycles
            NFock= 11  Conv=0.44D-08     -V/T= 2.0093
 KE= 6.804533736589D+02 PE=-3.260343344487D+03 EE= 1.067092254461D+03
 Leave Link  502 at Thu Aug 12 20:19:48 2021, MaxMem=  5368709120 cpu:            1412.7 elap:             176.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.49886126D+02

 Leave Link  801 at Thu Aug 12 20:19:48 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7279 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 2.27D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 2.21D-01 5.38D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 5.04D-02 2.46D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 4.46D-03 1.11D-02.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 8.80D-04 3.07D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 3.66D-05 8.16D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 7.06D-07 8.05D-05.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 1.59D-08 9.80D-06.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 3.75D-10 1.84D-06.
      9 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 5.50D-12 2.13D-07.
      3 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 4.78D-14 2.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.110911D+03
      2  0.141163D+01  0.105469D+03
      3  0.338110D+00 -0.473741D+00  0.853039D+02
 Isotropic polarizability for W=    0.088559      100.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.284141D+02 -0.170107D+02 -0.979634D+01
      2  -0.251425D+02  0.187752D+02  0.443566D+01
      3  -0.327156D+01 -0.176452D+01  0.536067D+01
      4  -0.189002D+01 -0.101122D+02  0.100273D+01
      5  -0.266920D+01  0.180197D+01  0.105354D+02
      6  -0.386813D+01  0.758221D+01  0.156667D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.325194D+00 -0.398404D+01 -0.187345D+01
      2  -0.280030D+01  0.166379D+01  0.635822D+01
      3   0.117892D+02 -0.121343D+02 -0.309882D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.799242D+00  0.314654D+01 -0.333118D+01
      2  -0.712714D+01  0.487086D+01  0.138070D+02
      3   0.151207D+02 -0.150303D+02 -0.567010D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.517703D+00  0.119851D+01 -0.100525D+01
      2   0.119851D+01 -0.169097D+00  0.129110D+01
      3  -0.100525D+01  0.129110D+01 -0.423033D+00
 OR G Eigenvalues:    -2.7001     0.5226     1.0676  Iso=     0.3699
 Eigenvectors:
   (1)   0.580822  -0.570999   0.580177
   (2)   0.759383   0.123331  -0.638848
   (3)   0.293228   0.811634   0.505241
 w=    0.088559 a.u., Optical Rotation Beta=      0.3699 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      104.13 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.65D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.49D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.65D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 2.35D-01 4.37D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 2.53D-03 5.46D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 6.84D-05 6.75D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 4.25D-07 6.15D-05.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 1.41D-09 3.08D-06.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 4.01D-12 1.96D-07.
     13 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 9.52D-15 1.04D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.13D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.13D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.05D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110911D+03  0.141163D+01  0.338110D+00
      2   0.141163D+01  0.105469D+03 -0.473741D+00
      3   0.338110D+00 -0.473741D+00  0.853039D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.325194D+00 -0.398404D+01 -0.187345D+01
      2  -0.280030D+01  0.166379D+01  0.635822D+01
      3   0.117892D+02 -0.121343D+02 -0.309882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.284141D+02 -0.170107D+02 -0.979634D+01
      2  -0.251425D+02  0.187752D+02  0.443566D+01
      3  -0.327156D+01 -0.176452D+01  0.536067D+01
      4  -0.189002D+01 -0.101122D+02  0.100273D+01
      5  -0.266920D+01  0.180197D+01  0.105354D+02
      6  -0.386813D+01  0.758221D+01  0.156667D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.235582D+01 -0.228299D+01 -0.866917D+00 -0.267414D+01  0.244228D+01
      2  -0.228299D+01  0.301617D+01  0.214115D+00  0.244228D+01  0.165715D+00
      3  -0.866917D+00  0.214115D+00 -0.633868D+00  0.329076D+00 -0.888658D+00
                 6             7             8             9            10 
      1   0.329076D+00 -0.137866D+01  0.671214D+00 -0.149900D+00  0.327287D+01
      2  -0.888658D+00  0.671214D+00 -0.152661D+01 -0.541520D+00  0.178443D+01
      3   0.441110D+00 -0.149900D+00 -0.541520D+00  0.830064D+01  0.115848D+01
                11            12            13            14            15 
      1   0.178443D+01  0.115848D+01  0.168339D+01 -0.230424D+01 -0.248670D+00
      2  -0.139324D+01  0.775733D-02 -0.230424D+01 -0.127913D+01  0.465500D+00
      3   0.775733D-02 -0.143492D+01 -0.248670D+00  0.465500D+00  0.545860D+00
                16            17            18            19            20 
      1   0.233264D+01 -0.108271D+00 -0.600199D-01  0.195746D+01  0.219367D+01
      2  -0.108271D+00  0.531552D+00  0.444316D+00  0.219367D+01 -0.262888D+01
      3  -0.600199D-01  0.444316D+00 -0.856985D+01  0.741909D+00  0.179868D+00
                21            22            23            24            25 
      1   0.741909D+00  0.147995D+01 -0.327493D+01 -0.266549D-02  0.110197D+01
      2   0.179868D+00 -0.327493D+01 -0.168001D+01  0.952399D+00  0.438355D+00
      3   0.302120D+00 -0.266549D-02  0.952399D+00  0.973650D+00 -0.271015D+00
                26            27            28            29            30 
      1   0.438355D+00 -0.271015D+00 -0.203611D+01  0.356984D-01 -0.887018D+00
      2   0.206256D+01  0.467226D+00  0.356984D-01  0.293507D+01 -0.285744D+00
      3   0.467226D+00 -0.814709D+01 -0.887018D+00 -0.285744D+00 -0.369949D+00
                31            32            33            34            35 
      1   0.818369D+00  0.408423D+01  0.480386D+00 -0.145962D+01  0.148942D+00
      2   0.408423D+01  0.223329D+01 -0.924027D+00  0.148942D+00 -0.141501D+01
      3   0.480386D+00 -0.924027D+00 -0.643550D+00 -0.190661D+00  0.144094D+00
                36            37            38            39            40 
      1  -0.190661D+00  0.606277D+01 -0.211184D+00  0.703980D+00 -0.163002D+01
      2   0.144094D+00 -0.211184D+00 -0.808548D-01 -0.547830D+00 -0.708502D+00
      3   0.851497D+01  0.703980D+00 -0.547830D+00 -0.297763D+00 -0.274716D+00
                41            42            43            44            45 
      1  -0.708502D+00 -0.274716D+00  0.288804D+01  0.589268D+00  0.421423D+00
      2  -0.407741D+01  0.735011D+00  0.589268D+00  0.176095D+01 -0.474009D+00
      3   0.735011D+00  0.449335D+00  0.421423D+00 -0.474009D+00 -0.139808D+01
                46            47            48            49            50 
      1  -0.365575D+01 -0.296235D+01 -0.526085D+00 -0.107819D+01  0.189306D+01
      2  -0.296235D+01  0.824846D+00  0.814293D+00  0.189306D+01  0.119371D+01
      3  -0.526085D+00  0.814293D+00  0.478485D+00  0.339154D-01 -0.156458D+00
                51            52            53            54            55 
      1   0.339154D-01 -0.206846D+01  0.119800D+00  0.501795D-01  0.367723D+01
      2  -0.156458D+00  0.119800D+00 -0.104954D+01 -0.942116D-01  0.186328D+01
      3  -0.190083D+01  0.501795D-01 -0.942116D-01  0.846269D+01  0.139015D+01
                56            57            58            59            60 
      1   0.186328D+01  0.139015D+01  0.323028D+01 -0.276697D+01 -0.182442D+00
      2  -0.130595D+01 -0.617694D-01 -0.276697D+01  0.645933D+01  0.110544D+01
      3  -0.617694D-01  0.792761D+00 -0.182442D+00  0.110544D+01  0.876194D-01
                61            62            63            64            65 
      1   0.295458D+01 -0.115658D+01 -0.547648D+00  0.430181D+00  0.344531D+00
      2  -0.115658D+01  0.227290D+01  0.140957D+01  0.344531D+00 -0.577238D+00
      3  -0.547648D+00  0.140957D+01  0.257665D+00 -0.941633D+00  0.728229D-01
                66            67            68            69            70 
      1  -0.941633D+00  0.480619D+00 -0.481389D+00  0.861979D-01 -0.186480D+01
      2   0.728229D-01 -0.481389D+00  0.500201D-01 -0.103425D+01  0.185172D+00
      3  -0.432253D-01  0.861979D-01 -0.103425D+01  0.297867D+00 -0.370890D+00
                71            72            73            74            75 
      1   0.185172D+00 -0.370890D+00 -0.754859D+01 -0.281767D-02 -0.106383D+01
      2  -0.177138D+01  0.691093D+00 -0.281767D-02  0.759361D+00 -0.199489D+00
      3   0.691093D+00 -0.766448D+01 -0.106383D+01 -0.199489D+00  0.584967D+00
                76            77            78            79            80 
      1   0.321594D+01  0.109411D+01  0.198668D+00 -0.295362D+01 -0.643164D+00
      2   0.109411D+01  0.453327D+01 -0.917339D+00 -0.643164D+00 -0.137176D+01
      3   0.198668D+00 -0.917339D+00  0.873786D+00 -0.134483D+01 -0.271883D-01
                81            82            83            84            85 
      1  -0.134483D+01 -0.625163D+00 -0.309684D+00  0.102359D+01 -0.396809D+00
      2  -0.271883D-01 -0.309684D+00  0.403300D+00  0.105172D-01  0.362416D+00
      3  -0.256275D+00  0.102359D+01  0.105172D-01  0.230885D-01  0.307481D-01
                86            87            88            89            90 
      1   0.362416D+00  0.307481D-01  0.184462D+01  0.197384D+00 -0.505428D+00
      2   0.965750D-01  0.108778D+01  0.197384D+00  0.174025D+01 -0.496458D+00
      3   0.108778D+01 -0.549647D+00 -0.505428D+00 -0.496458D+00  0.785424D+01
                91            92            93            94            95 
      1  -0.125474D+00 -0.440913D+00  0.970523D+00 -0.310296D+00  0.566109D+00
      2  -0.440913D+00  0.498382D+00  0.578925D-01  0.566109D+00  0.426344D+00
      3   0.970523D+00  0.578925D-01  0.247593D-01  0.913827D-01  0.104713D+01
                96            97            98            99           100 
      1   0.913827D-01  0.183932D+01 -0.653760D-01  0.337095D+00  0.407400D+01
      2   0.104713D+01 -0.653760D-01  0.183022D+01  0.384374D+00  0.509150D+00
      3   0.527797D-01  0.337095D+00  0.384374D+00  0.773673D+01 -0.923947D+00
               101           102           103           104           105 
      1   0.509150D+00 -0.923947D+00 -0.305673D+00  0.400523D+01  0.805462D-01
      2   0.573856D+01 -0.833579D-01  0.400523D+01  0.222542D+01 -0.868336D+00
      3  -0.833579D-01  0.436433D+00  0.805462D-01 -0.868336D+00 -0.727428D+00
               106           107           108           109           110 
      1  -0.120078D+01 -0.288117D+00  0.885552D+00  0.257815D+01  0.190144D+00
      2  -0.288117D+00 -0.259444D+01  0.105194D+01  0.190144D+00 -0.236399D+01
      3   0.885552D+00  0.105194D+01 -0.130275D+00  0.160375D+01  0.349764D+00
               111           112           113           114           115 
      1   0.160375D+01  0.475097D+00 -0.413085D+01  0.492448D-01  0.219038D+01
      2   0.349764D+00 -0.413085D+01 -0.290641D+01  0.120134D+01 -0.201953D+00
      3   0.111045D+01  0.492448D-01  0.120134D+01 -0.690674D+00 -0.689396D+00
               116           117           118           119           120 
      1  -0.201953D+00 -0.689396D+00  0.105639D+01  0.218988D+00 -0.104511D+01
      2   0.148607D+01 -0.143649D+01  0.218988D+00 -0.329188D+00  0.501310D-01
      3  -0.143649D+01 -0.769183D+01 -0.104511D+01  0.501310D-01  0.650009D+00
               121           122           123           124           125 
      1   0.166776D+00 -0.418022D+00 -0.272753D+00 -0.214680D+01 -0.200212D+00
      2  -0.418022D+00 -0.139458D-01 -0.101489D+01 -0.200212D+00 -0.160641D+01
      3  -0.272753D+00 -0.101489D+01  0.122062D+00  0.985881D+00  0.179884D+00
               126           127           128           129           130 
      1   0.985881D+00 -0.106894D+01 -0.142544D+01  0.174883D+00 -0.175908D+01
      2   0.179884D+00 -0.142544D+01 -0.127520D+01  0.201071D+00 -0.148897D+01
      3  -0.767642D+01  0.174883D+00  0.201071D+00 -0.367004D+00 -0.994362D-01
               131           132           133           134           135 
      1  -0.148897D+01 -0.994362D-01 -0.173806D+00 -0.170042D+00 -0.197748D+00
      2  -0.841826D+01 -0.442802D+00 -0.170042D+00 -0.222710D+01  0.106369D+01
      3  -0.442802D+00  0.107131D+01 -0.197748D+00  0.106369D+01 -0.571226D+01
               136           137           138           139           140 
      1   0.162758D+00  0.105879D+00 -0.115284D+01  0.110744D+00 -0.437570D+00
      2   0.105879D+00 -0.263856D+00 -0.189125D+00 -0.437570D+00 -0.100212D+01
      3  -0.115284D+01 -0.189125D+00 -0.193391D+00  0.171395D-01 -0.994290D+00
               141           142           143           144           145 
      1   0.171395D-01 -0.180329D+01 -0.486454D+00 -0.430315D+00 -0.908619D+01
      2  -0.994290D+00 -0.486454D+00 -0.189071D+01 -0.147165D+01  0.185009D+01
      3  -0.338979D+00 -0.430315D+00 -0.147165D+01 -0.792087D+01 -0.530999D+00
               146           147           148           149           150 
      1   0.185009D+01 -0.530999D+00 -0.248377D-01 -0.693377D+00  0.735641D-02
      2  -0.207722D+01 -0.905789D-01 -0.693377D+00  0.315442D+00 -0.229933D+00
      3  -0.905789D-01 -0.125366D+01  0.735641D-02 -0.229933D+00  0.191203D+00
               151           152           153           154           155 
      1  -0.162826D+01  0.299911D+00 -0.103789D+01 -0.287175D+01 -0.204430D+01
      2   0.299911D+00 -0.566569D+00  0.361744D+00 -0.204430D+01 -0.233256D+01
      3  -0.103789D+01  0.361744D+00 -0.111276D+00  0.131518D+00  0.265785D-01
               156           157           158           159           160 
      1   0.131518D+00 -0.449090D+01 -0.327745D+01 -0.184967D+00  0.721089D+00
      2   0.265785D-01 -0.327745D+01 -0.590452D+01  0.228087D+00  0.339331D+00
      3  -0.672236D+00 -0.184967D+00  0.228087D+00 -0.100260D+01 -0.784763D+00
               161           162           163           164           165 
      1   0.339331D+00 -0.784763D+00 -0.205447D+01  0.146151D+01  0.236355D+00
      2   0.697635D+00 -0.661449D+00  0.146151D+01 -0.392432D+01  0.545949D-01
      3  -0.661449D+00 -0.345589D-01  0.236355D+00  0.545949D-01 -0.444995D+00
               166           167           168           169           170 
      1   0.184253D+01 -0.145962D+01 -0.113460D+00  0.388002D+00 -0.161795D+00
      2  -0.145962D+01  0.715341D+01  0.140017D+00 -0.161795D+00  0.826711D+00
      3  -0.113460D+00  0.140017D+00  0.108643D+01 -0.174628D+00  0.926564D+00
               171           172           173           174           175 
      1  -0.174628D+00  0.766212D+01 -0.228758D+01 -0.134585D+01 -0.922146D+00
      2   0.926564D+00 -0.228758D+01  0.333640D+01 -0.375747D-01  0.339955D+01
      3  -0.904214D-01 -0.134585D+01 -0.375747D-01  0.362712D+00 -0.823594D-02
               176           177           178           179           180 
      1   0.339955D+01 -0.823594D-02 -0.234625D+01  0.688120D+00  0.171737D+01
      2   0.193754D+01 -0.695962D+00  0.688120D+00 -0.145480D+01 -0.563223D+00
      3  -0.695962D+00  0.827407D+00  0.171737D+01 -0.563223D+00 -0.603634D+00
               181           182           183           184           185 
      1  -0.329282D+00  0.326621D+00  0.110022D+01 -0.270111D+00  0.734179D+00
      2   0.326621D+00  0.238355D+00 -0.115075D+00  0.734179D+00  0.471756D+00
      3   0.110022D+01 -0.115075D+00 -0.252338D+00 -0.285422D-01  0.102249D+01
               186           187           188           189           190 
      1  -0.285422D-01  0.237509D+01 -0.206026D+00  0.134003D+01  0.269937D+01
      2   0.102249D+01 -0.206026D+00  0.152076D+01  0.118317D+01  0.207676D+01
      3  -0.183057D-01  0.134003D+01  0.118317D+01  0.853615D+01 -0.696378D+00
               191           192           193           194           195 
      1   0.207676D+01 -0.696378D+00  0.331052D+01  0.272092D+01 -0.206886D+00
      2   0.216083D+01 -0.200783D+00  0.272092D+01  0.558705D+01 -0.810716D+00
      3  -0.200783D+00  0.601002D+00 -0.206886D+00 -0.810716D+00  0.900993D+00
               196           197           198           199           200 
      1  -0.158546D+01 -0.376380D+00  0.913771D+00 -0.177047D+00 -0.478052D+00
      2  -0.376380D+00 -0.150514D+01  0.106365D+01 -0.478052D+00  0.258023D+00
      3   0.913771D+00  0.106365D+01 -0.167186D+00  0.517529D+00 -0.243041D+00
               201           202           203           204           205 
      1   0.517529D+00 -0.384301D+00 -0.124304D-01  0.229263D-01  0.142471D+01
      2  -0.243041D+00 -0.124304D-01 -0.140531D+01  0.807040D+00  0.352131D+00
      3   0.613479D+00  0.229263D-01  0.807040D+00 -0.822199D+00 -0.119308D+00
               206           207           208           209           210 
      1   0.352131D+00 -0.119308D+00 -0.169871D+01 -0.515431D+00  0.227721D+00
      2   0.344397D+01 -0.288227D+01 -0.515431D+00 -0.161678D+01  0.149638D-01
      3  -0.288227D+01  0.646621D+01  0.227721D+00  0.149638D-01 -0.169172D-01
               211           212           213           214           215 
      1  -0.256770D+01  0.152238D+00  0.195188D+00  0.549372D+00  0.347448D-01
      2   0.152238D+00 -0.616175D+01  0.185422D+00  0.347448D-01  0.805872D+00
      3   0.195188D+00  0.185422D+00 -0.122720D+01  0.223141D+00 -0.722854D+00
               216 
      1   0.223141D+00
      2  -0.722854D+00
      3   0.452013D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111655D+01  0.123594D+00 -0.104042D+01 -0.152036D+01  0.672446D+00
      2   0.138397D+01 -0.314998D+00  0.476783D+00 -0.309785D+00  0.214322D+01
      3  -0.329901D+01 -0.209467D+01 -0.933150D+00  0.316107D+01  0.148990D+01
                 6             7             8             9            10 
      1  -0.356355D+00  0.197697D-01  0.407717D+01 -0.718298D+01  0.642210D+00
      2   0.700932D+00 -0.290109D+01  0.372795D+00 -0.823796D+01 -0.177068D+01
      3  -0.234265D+00  0.106770D+00 -0.126608D+01 -0.785480D+00  0.787058D+00
                11            12            13            14            15 
      1  -0.675589D+00 -0.308567D+00  0.443105D+00 -0.163664D+01 -0.106414D+01
      2  -0.115933D+01  0.119272D+01  0.745948D-01 -0.231792D+01 -0.178020D+01
      3  -0.534613D+01 -0.757658D+00  0.436997D+00 -0.314872D+00  0.184118D+01
                16            17            18            19            20 
      1  -0.714620D+00  0.225830D+01 -0.412184D+01 -0.828362D+00 -0.286419D+00
      2  -0.337919D+01 -0.129822D+01  0.108050D+02 -0.120609D+01  0.324966D+00
      3  -0.117599D+01  0.112118D+01  0.766237D+00  0.158146D+01  0.635355D+00
                21            22            23            24            25 
      1   0.841109D+00 -0.447062D+00 -0.165832D+01 -0.204431D+00  0.142024D+01
      2   0.143525D+01 -0.903507D+00  0.289307D+00 -0.429269D+00 -0.352512D+01
      3   0.118417D+01  0.597063D+01 -0.426876D+01 -0.107988D+01  0.120061D+01
                26            27            28            29            30 
      1   0.276248D+01  0.868490D+01  0.837424D+00 -0.357981D+00  0.155726D+01
      2  -0.216109D+00 -0.171656D+01 -0.177864D+01 -0.548022D+00 -0.102963D+00
      3   0.295415D+00 -0.907222D+00 -0.596440D+01 -0.875263D+01 -0.494770D+00
                31            32            33            34            35 
      1  -0.112544D+01  0.981244D+00  0.173705D+01  0.168814D+01  0.314083D+01
      2  -0.684877D+00 -0.145867D+01 -0.191166D+01 -0.491718D+01  0.198973D+01
      3  -0.619533D+01 -0.277854D+01  0.207855D+01 -0.450573D+00  0.124871D+01
                36            37            38            39            40 
      1  -0.368788D+01  0.976092D+00  0.458738D+00 -0.299921D+01  0.914277D+00
      2   0.147682D+02  0.712751D+00  0.336626D+00  0.837073D+01  0.165001D+00
      3  -0.330559D+00 -0.871610D+01 -0.705782D+01 -0.865298D+00  0.116462D+02
                41            42            43            44            45 
      1   0.728458D+00 -0.601742D+01  0.253648D+01  0.453479D+01 -0.269195D+00
      2   0.116898D+01  0.214315D+01 -0.520179D+01 -0.261034D+01  0.681647D+00
      3   0.526861D+01 -0.895099D+00 -0.359835D+01 -0.226179D+01 -0.237828D+00
                46            47            48            49            50 
      1  -0.482642D+00 -0.362604D-01  0.214085D+01 -0.506717D+00 -0.827852D+00
      2   0.123839D+01  0.223509D+00 -0.487129D+01 -0.680419D+00  0.143605D+01
      3   0.318858D+01  0.517938D+01  0.100573D+01  0.287268D+01  0.142843D+01
                51            52            53            54            55 
      1  -0.113884D+01 -0.154491D+01  0.269902D+01  0.128520D+02 -0.305794D+01
      2  -0.347733D-01 -0.432664D+01 -0.147903D+01 -0.889237D+01 -0.642634D+01
      3  -0.136621D+01  0.292502D+01 -0.133236D+01 -0.113832D+00  0.152555D+02
                56            57            58            59            60 
      1   0.530300D-01  0.519031D+00  0.138496D+01 -0.200293D+01 -0.533943D+01
      2   0.177653D+01  0.155166D+01  0.295867D+00 -0.192297D+01 -0.252556D+01
      3  -0.178566D+01  0.252009D+01  0.810046D+01  0.894994D+01  0.106995D+01
                61            62            63            64            65 
      1   0.351098D+00  0.104552D+01 -0.216904D+01  0.762836D+00 -0.139616D+00
      2  -0.413112D+01 -0.153511D+01 -0.219731D+01  0.164395D+01 -0.331289D+00
      3   0.540177D+01  0.349248D+01  0.153538D+01  0.821429D+00 -0.125303D+01
                66            67            68            69            70 
      1  -0.527603D+00 -0.211974D+00  0.144261D+01 -0.716143D+00 -0.118420D+00
      2   0.782861D+00 -0.137470D+00  0.854779D+00  0.288767D+00 -0.384593D+01
      3  -0.698547D+00  0.104655D+01 -0.424974D+00 -0.945453D+00 -0.201379D+01
                71            72            73            74            75 
      1   0.367182D+01  0.740573D+01 -0.162062D+01 -0.687532D+00 -0.247192D+00
      2  -0.356759D+00  0.854656D+01  0.351629D+01  0.185188D+01  0.585913D+01
      3  -0.190869D+01  0.598824D+00  0.750309D+01 -0.339299D+01  0.275402D+00
                76            77            78            79            80 
      1  -0.243632D+01 -0.280018D+01 -0.933719D+00  0.572376D+00  0.409619D+01
      2   0.906103D+00  0.343476D+01 -0.204439D+01 -0.203615D+00 -0.547561D+00
      3   0.455906D+01  0.191947D+02 -0.220709D+01  0.128965D+01 -0.515412D+01
                81            82            83            84            85 
      1  -0.747553D+00  0.405799D+00  0.390539D+00  0.515123D+00  0.650683D+00
      2   0.253515D+01 -0.205176D+01 -0.470212D-01  0.303773D+00  0.248223D+00
      3   0.796395D+00 -0.880070D-01 -0.237192D+00 -0.289412D+00  0.166861D+01
                86            87            88            89            90 
      1   0.728005D+00 -0.164788D+01  0.127969D+00  0.417248D+01  0.277367D+01
      2  -0.167926D+01  0.337080D+00 -0.346713D+01  0.576378D+00 -0.119315D+02
      3   0.315582D+00  0.120294D+01 -0.618733D+00  0.284299D+01 -0.874427D-01
                91            92            93            94            95 
      1  -0.164228D+01  0.529809D-01  0.249600D+00 -0.210327D+00 -0.150301D+01
      2   0.257681D+00  0.771666D+00  0.657103D+00  0.676499D+00  0.270248D+00
      3   0.112677D+00 -0.165842D+01  0.111866D+01  0.462431D+00  0.421661D+00
                96            97            98            99           100 
      1  -0.399087D+00 -0.498563D+00  0.367650D+01 -0.951535D+01  0.236145D+01
      2  -0.363538D+00 -0.470819D+01  0.144750D+00  0.176126D+01  0.235782D+00
      3  -0.160723D+00  0.253608D+01 -0.881468D+00  0.299132D+00  0.141017D+02
               101           102           103           104           105 
      1  -0.992638D+00 -0.337123D+01 -0.600195D+00  0.453322D+01 -0.397135D+01
      2  -0.149973D+01  0.317011D+01  0.487133D+00  0.516674D+00  0.156720D+01
      3  -0.107730D+02 -0.179638D+01 -0.947299D+00  0.921905D+01  0.116266D+01
               106           107           108           109           110 
      1  -0.247098D+01  0.211665D+01  0.216550D+01 -0.180884D+01 -0.116094D+01
      2  -0.218950D+01  0.111071D+01 -0.523187D+00  0.366838D+01  0.134898D+01
      3  -0.441801D+01  0.142566D+01  0.122876D+01  0.361949D+01  0.605217D+01
               111           112           113           114           115 
      1  -0.237751D+01 -0.250197D+01 -0.328830D+01  0.495242D+00  0.739036D-02
      2   0.233932D+01  0.177010D+01  0.473292D+01 -0.103917D+00 -0.669645D+01
      3  -0.573909D+00  0.153546D+02  0.516386D+01 -0.349616D+01  0.963966D+00
               116           117           118           119           120 
      1   0.227004D+01  0.516294D+01  0.310298D+00  0.475628D+00  0.356381D+00
      2  -0.374392D+01 -0.203480D+02 -0.119072D+01  0.239036D+00  0.181835D+01
      3  -0.481608D+01  0.387207D+01 -0.979863D-01  0.328085D+00 -0.447204D+00
               121           122           123           124           125 
      1   0.214756D+00  0.505052D-01 -0.613401D+00 -0.463928D-01  0.391474D+01
      2  -0.419808D+00 -0.167172D+01  0.136629D+00 -0.355660D+01 -0.414274D-01
      3   0.261417D+01 -0.704841D+00  0.153362D+01 -0.232165D+00  0.290798D+01
               126           127           128           129           130 
      1   0.244481D+01  0.280006D-02  0.238921D-01 -0.192478D+01  0.808482D-01
      2  -0.113606D+02  0.146811D+00 -0.171173D+01  0.496282D+01  0.501162D+00
      3  -0.103321D+01  0.285364D+01 -0.198278D+01  0.840549D+00  0.986850D+01
               131           132           133           134           135 
      1  -0.266987D+00 -0.405624D+01  0.261050D+00  0.633509D+01 -0.179829D+02
      2   0.132890D+00  0.567845D-03  0.136834D+00 -0.906305D+00  0.494632D+01
      3  -0.443002D+01 -0.263571D-01  0.474874D+00 -0.604299D+00  0.195641D+01
               136           137           138           139           140 
      1  -0.211033D+01 -0.169179D+00 -0.515313D+00  0.313325D+00 -0.121673D+01
      2   0.919857D+00  0.250770D+00  0.856989D+00  0.693457D+00  0.687262D+00
      3  -0.520718D-01 -0.173591D+01  0.200820D+01  0.258794D+00  0.312078D+00
               141           142           143           144           145 
      1  -0.100024D+01 -0.936240D-01  0.258378D+01 -0.118086D+02  0.177955D+01
      2   0.770860D-01 -0.402304D+01  0.795046D+00  0.694185D+01  0.514621D+01
      3  -0.560327D+00  0.336223D+01 -0.475406D+00  0.546864D+00 -0.188530D+02
               146           147           148           149           150 
      1   0.521525D-01  0.251139D+01  0.351142D-01  0.595002D+00 -0.109693D+00
      2  -0.515623D+00  0.444657D+01  0.150654D+00  0.529482D+00 -0.166382D+00
      3  -0.328485D+01 -0.191214D+01 -0.186121D+01 -0.259812D+01 -0.685298D+00
               151           152           153           154           155 
      1   0.193863D+01  0.266981D+00  0.240676D+00  0.987640D+00  0.109115D+01
      2   0.230774D+01 -0.855653D+00  0.741684D+00 -0.936305D+00 -0.777099D+00
      3  -0.402914D+01 -0.128318D+01 -0.131973D+01 -0.473600D+01 -0.601744D+01
               156           157           158           159           160 
      1  -0.109051D+01  0.167685D+01  0.280141D+01 -0.216827D+01 -0.111261D+01
      2   0.200072D+01 -0.915356D+00 -0.229257D+01  0.363169D+01  0.965914D+00
      3  -0.982470D-01 -0.444990D+01 -0.201395D+02  0.123689D+01 -0.586098D-01
               161           162           163           164           165 
      1  -0.587155D-01  0.393828D+00 -0.146797D+01  0.128606D+01  0.219066D+01
      2   0.199742D+01  0.101560D+00 -0.309599D+00  0.709186D+00 -0.874785D-01
      3   0.284307D+01 -0.105847D+01 -0.110848D+02  0.783208D+01  0.111741D+01
               166           167           168           169           170 
      1   0.119148D+01 -0.223186D+01 -0.381095D+01  0.729669D+00 -0.170675D+01
      2   0.388211D+00 -0.946283D+00 -0.173293D+00 -0.107143D+01  0.127448D+00
      3   0.904366D+01 -0.113007D+02 -0.609997D+00  0.217561D+01 -0.134293D+01
               171           172           173           174           175 
      1  -0.403155D-01 -0.413074D+00 -0.566436D+00  0.337179D+01  0.354689D+00
      2  -0.272272D+00 -0.445402D+01  0.107016D+01  0.665197D+01 -0.123312D+01
      3  -0.100036D+01  0.137888D+01 -0.188942D+02 -0.638074D-01 -0.106044D+02
               176           177           178           179           180 
      1  -0.250558D+01 -0.332945D+01 -0.789396D-01  0.425778D+01 -0.198982D+01
      2  -0.238072D+01 -0.334612D+00  0.249419D+01 -0.179449D+01 -0.296758D+01
      3  -0.985851D+01  0.262571D+01  0.199292D+00  0.585632D+01  0.151118D+01
               181           182           183           184           185 
      1  -0.278076D+00 -0.118050D+00 -0.578988D-01  0.278166D+00 -0.194591D+00
      2   0.411072D+01 -0.839858D+00 -0.429381D+00 -0.258397D+00  0.270757D+01
      3  -0.132786D+01 -0.113853D+01  0.779579D+00 -0.958483D+00 -0.946934D+00
               186           187           188           189           190 
      1  -0.303572D-01 -0.102985D+01  0.350331D+01 -0.401554D+01  0.144769D+01
      2   0.711561D-03 -0.144734D+01  0.380954D+01  0.233076D+02 -0.251835D+01
      3  -0.253393D+01  0.169641D+01 -0.439236D+01 -0.313475D+01 -0.425179D+01
               191           192           193           194           195 
      1   0.804749D+00 -0.127230D+01  0.112703D+01  0.229737D+01 -0.254922D+01
      2  -0.105825D+01  0.273795D+01 -0.113866D+01 -0.338263D+01  0.344108D+01
      3  -0.612076D+01  0.233564D+00 -0.343906D+01 -0.166584D+02  0.249825D+01
               196           197           198           199           200 
      1  -0.943560D+00 -0.150842D+00  0.477082D+00  0.162426D+01 -0.382729D+00
      2   0.175789D+01  0.318808D+01 -0.784933D+00 -0.117696D+01 -0.248888D+00
      3  -0.326696D+00  0.476066D+01 -0.259737D+01 -0.662997D+00  0.579369D+00
               201           202           203           204           205 
      1   0.210618D+01  0.919716D-01  0.303034D+01 -0.268609D+01 -0.385735D+00
      2  -0.682702D+00 -0.628986D+00 -0.115099D+01  0.965919D+00 -0.263735D+01
      3  -0.149939D+01  0.997545D+00 -0.122731D+01  0.728452D+00 -0.400635D+01
               206           207           208           209           210 
      1  -0.624035D+01  0.204153D+02  0.455538D+00  0.760855D+00 -0.626837D+00
      2   0.268836D+01 -0.592160D+01  0.100859D+01 -0.883247D-01 -0.789270D+00
      3   0.214060D+01 -0.267228D+01  0.722678D+01  0.818554D+01 -0.416497D+00
               211           212           213           214           215 
      1   0.633177D+00  0.250923D+01 -0.274130D+01  0.890564D-01 -0.492740D+00
      2   0.953383D+00  0.299591D+00 -0.342323D+01 -0.891497D+00 -0.212005D+01
      3   0.585137D+01  0.245925D+02 -0.100727D+01 -0.140387D+01 -0.321631D+01
               216 
      1   0.277658D+00
      2  -0.152985D+00
      3   0.216729D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.657587D+01 -0.174303D+01  0.182816D+00  0.592689D+01 -0.102641D+01
      2  -0.606436D+01  0.971149D+01 -0.103264D+01  0.101340D+01 -0.529642D+01
      3  -0.511514D+00 -0.796846D+01  0.849823D+00 -0.694028D+01  0.632283D+01
      4   0.648954D+01 -0.116786D+02 -0.112612D+01 -0.157012D+02  0.815288D+01
      5   0.293802D+01 -0.164683D+01 -0.209829D+01 -0.348544D+01  0.127126D+01
      6  -0.884337D+00  0.262123D+01  0.301052D+01  0.288256D+01 -0.306119D+01
                 6             7             8             9            10 
      1   0.408109D+00  0.367816D+01  0.853897D+00  0.710134D+01 -0.186525D+02
      2   0.164626D+00  0.822167D+00 -0.556269D+01  0.499049D+01  0.940944D+01
      3  -0.572735D+00 -0.450033D+01  0.470880D+01 -0.120918D+02  0.924308D+01
      4   0.196445D+01 -0.411309D+01  0.705114D+01  0.972969D+00 -0.643188D+01
      5   0.248613D+01  0.127582D+01  0.201244D+01 -0.194923D+02 -0.616369D+01
      6  -0.428789D+01  0.938990D+00 -0.247635D+00  0.172558D+02 -0.837972D+00
                11            12            13            14            15 
      1  -0.684927D+01 -0.106341D+01 -0.905081D+01  0.678881D+01  0.117314D+01
      2   0.309358D+01  0.359798D+01  0.584002D+01 -0.257653D+01 -0.641046D+00
      3   0.375569D+01 -0.253458D+01  0.321079D+01 -0.421228D+01 -0.532092D+00
      4  -0.286598D+01 -0.494823D+00  0.661996D+01  0.262741D+01 -0.483700D+00
      5  -0.111573D+01 -0.179900D+01  0.118052D+00  0.147226D+00 -0.417131D+01
      6  -0.204655D+01  0.428909D+00 -0.627916D+00 -0.727768D+00 -0.130462D+00
                16            17            18            19            20 
      1  -0.114765D+02 -0.235484D+01  0.851109D+01 -0.858295D+01  0.763514D+01
      2   0.582432D+01 -0.232924D+00  0.506617D+01  0.625939D+01 -0.123356D+02
      3   0.565218D+01  0.258776D+01 -0.135773D+02  0.232355D+01  0.470044D+01
      4  -0.130976D+01 -0.123342D+01 -0.136207D+01  0.188498D+01 -0.274139D+01
      5   0.326874D+00 -0.192375D+01  0.273499D+02  0.189124D+01  0.127348D+01
      6   0.147034D+00 -0.340659D+00  0.110243D+02  0.646785D+00  0.165961D+01
                21            22            23            24            25 
      1  -0.835686D+00  0.403384D+01  0.424691D+01 -0.287005D+01 -0.150836D+01
      2  -0.103538D+01 -0.919135D+01 -0.992545D+01  0.348469D+00  0.369690D+01
      3   0.187107D+01  0.515752D+01  0.567854D+01  0.252158D+01 -0.218854D+01
      4   0.889907D+00 -0.480975D+01 -0.980134D+01 -0.318675D+00  0.291693D+01
      5  -0.995288D+00  0.170512D+01  0.105192D+01 -0.101468D+01  0.495774D+00
      6  -0.173903D+01 -0.194605D+00  0.402662D+01 -0.350240D+01 -0.140234D+01
                26            27            28            29            30 
      1  -0.354073D+01  0.471290D+01 -0.982811D+01 -0.901350D+00 -0.318093D+01
      2   0.785192D+01  0.904868D+01  0.356697D+01  0.347649D+00  0.193486D+01
      3  -0.431119D+01 -0.137616D+02  0.626114D+01  0.553702D+00  0.124608D+01
      4   0.279666D+01 -0.238642D+00 -0.583985D+01 -0.751226D+00 -0.175140D+01
      5   0.229904D-01 -0.451333D+01 -0.479809D+01 -0.968780D+00 -0.413189D+01
      6   0.206044D+01 -0.214754D+02 -0.234439D+01 -0.855593D-01 -0.250720D+01
                31            32            33            34            35 
      1   0.142943D+01  0.142743D+02 -0.143284D+00 -0.319657D+01  0.251901D+00
      2  -0.487570D-01 -0.147348D+02 -0.177569D+01 -0.437044D+00 -0.218456D+01
      3  -0.138068D+01  0.460488D+00  0.191897D+01  0.363362D+01  0.193266D+01
      4  -0.478197D+01  0.227439D+00 -0.181515D+01  0.106826D+01 -0.802712D+00
      5   0.185625D+01 -0.132265D+01 -0.531948D+01 -0.174432D+01  0.748979D+00
      6   0.655572D-02  0.135802D+01 -0.486122D+01 -0.144875D+01  0.455862D+00
                36            37            38            39            40 
      1   0.576692D+01  0.163033D+02 -0.328632D+01 -0.735830D+00 -0.996916D+00
      2   0.630492D+01 -0.109308D+02  0.297335D+01 -0.133196D+01  0.469059D+00
      3  -0.120718D+02 -0.537243D+01  0.312973D+00  0.206779D+01  0.527857D+00
      4   0.127862D+01 -0.796080D+01  0.105884D+02 -0.146270D+01  0.116671D+02
      5   0.267183D+02  0.194412D+01 -0.207809D+00  0.131285D+02 -0.145623D+01
      6   0.389403D+01 -0.627966D+00  0.198926D+01  0.610312D+01 -0.492825D-01
                41            42            43            44            45 
      1  -0.111623D+02  0.275025D+01  0.527163D+01  0.319638D+01 -0.312334D+01
      2   0.159084D+02 -0.634881D+00 -0.529911D+01 -0.341980D+01 -0.311670D+01
      3  -0.474608D+01 -0.211537D+01  0.274807D-01  0.223418D+00  0.624005D+01
      4  -0.100127D+01  0.895651D+00 -0.402139D+01  0.117412D+01 -0.240706D+01
      5   0.318031D+00  0.519816D+01  0.534861D+01 -0.422595D+00  0.803849D+00
      6  -0.318897D+01  0.875888D+01 -0.629454D+00  0.465403D+01  0.122616D+01
                46            47            48            49            50 
      1  -0.162719D+02  0.859297D+01  0.432321D+01 -0.246166D+01  0.664262D+01
      2   0.149876D+02 -0.968702D+01 -0.113269D+01 -0.229110D+01 -0.179564D+02
      3   0.128433D+01  0.109405D+01 -0.319052D+01  0.475277D+01  0.113137D+02
      4   0.468307D+01 -0.507086D+01  0.343779D+00 -0.104800D+02 -0.983468D+01
      5  -0.557635D-01 -0.455414D-01 -0.924984D+01  0.138662D+01  0.591855D+00
      6  -0.376947D+00 -0.279179D+01 -0.554610D+01  0.739556D+00  0.127946D+01
                51            52            53            54            55 
      1  -0.151781D+00  0.190675D+01  0.521340D-01  0.590991D+01 -0.231173D+02
      2   0.113386D+00  0.531729D+00  0.678869D+01  0.824694D+01  0.168920D+02
      3   0.383950D-01 -0.243848D+01 -0.684082D+01 -0.141568D+02  0.622522D+01
      4   0.128619D+01  0.328717D+01  0.743992D-01  0.818817D+00  0.635761D+01
      5   0.952476D-01 -0.184588D+01 -0.111261D+01 -0.145374D+02 -0.689993D+01
      6  -0.250005D+01 -0.644355D+00 -0.927737D-01 -0.293769D+02  0.682133D+01
                56            57            58            59            60 
      1  -0.290933D+00 -0.502251D+01 -0.642735D+01 -0.877803D+01 -0.350577D+01
      2  -0.464414D+01  0.380884D+01 -0.331354D+01  0.248409D+02  0.236185D+01
      3   0.493507D+01  0.121367D+01  0.974090D+01 -0.160628D+02  0.114392D+01
      4   0.155518D+02  0.486627D+01  0.250310D+02 -0.309366D+02 -0.472657D+01
      5   0.176952D+01  0.472727D+01  0.234561D+01 -0.488516D+01 -0.435460D+01
      6  -0.198884D+01 -0.108762D+01 -0.248579D+01  0.684330D+01  0.975814D+01
                61            62            63            64            65 
      1  -0.972442D+01 -0.221832D+01 -0.489418D+01 -0.506073D+00 -0.406152D+00
      2   0.342535D+01  0.669143D+01  0.135778D+01 -0.224695D+01 -0.522521D+00
      3   0.629907D+01 -0.447311D+01  0.353641D+01  0.275302D+01  0.928673D+00
      4   0.133640D+02 -0.115551D+02 -0.609693D+01 -0.567759D+00  0.333239D+01
      5   0.623709D+01 -0.695554D+01 -0.463311D+01  0.282090D+01 -0.712826D+00
      6  -0.364094D+01  0.106936D+02  0.462778D+01 -0.219449D+01 -0.378083D+00
                66            67            68            69            70 
      1   0.269929D+01 -0.281968D+00 -0.267393D+01  0.187827D+01  0.329913D+01
      2  -0.140207D+01 -0.655612D+00  0.618052D+00 -0.266815D+01 -0.227831D+01
      3  -0.129721D+01  0.937580D+00  0.205588D+01  0.789879D+00 -0.102081D+01
      4  -0.239133D+01  0.320042D+01 -0.106081D+01  0.273005D+01 -0.387059D+01
      5   0.616786D+01  0.533274D-01  0.242963D+01 -0.100802D+00  0.453342D+01
      6   0.641867D+00  0.464815D+00 -0.322153D+01  0.663148D+01 -0.122790D+01
                71            72            73            74            75 
      1   0.290064D+01 -0.145111D+02  0.519506D+02 -0.591280D-01  0.423227D+01
      2  -0.270151D+01 -0.132009D+02 -0.328112D+02 -0.167451D+01 -0.527002D+01
      3  -0.199135D+00  0.277121D+02 -0.191394D+02  0.173364D+01  0.103775D+01
      4   0.431100D+01 -0.130491D+01  0.315838D+01  0.194377D+01  0.191792D+01
      5  -0.179185D+01  0.192533D+02  0.934498D+01  0.166481D+01  0.101516D+02
      6   0.503488D+01 -0.180999D+02  0.129012D+01  0.117986D+01  0.584642D-01
                76            77            78            79            80 
      1  -0.145022D+02 -0.519925D+01 -0.155670D+01  0.157895D+02  0.231192D+01
      2   0.518232D+01 -0.149024D+01  0.179226D+01 -0.100691D+02  0.520994D+00
      3   0.931984D+01  0.668950D+01 -0.235565D+00 -0.572041D+01 -0.283292D+01
      4  -0.973351D+01 -0.272884D+02  0.407490D+01  0.570746D+01  0.793174D+01
      5  -0.134038D+00  0.511458D+01 -0.300940D+01  0.141401D+02  0.426003D+00
      6  -0.379645D+00  0.659457D+00  0.267630D+01  0.192644D+01  0.303691D+01
                81            82            83            84            85 
      1   0.520462D+01  0.209747D+01  0.132452D+01 -0.482679D+01  0.129398D+01
      2  -0.817790D+01 -0.382503D+01 -0.979616D+00  0.254441D+01 -0.784333D+00
      3   0.297327D+01  0.172756D+01 -0.344899D+00  0.228238D+01 -0.509643D+00
      4   0.561893D+00  0.104208D+01  0.783927D+00 -0.784426D+00  0.105621D+01
      5   0.549162D+01 -0.400566D+01 -0.225453D+00  0.550095D+01  0.877854D-01
      6   0.124048D+01 -0.780113D+00  0.373066D+00 -0.635267D+00 -0.798311D+00
                86            87            88            89            90 
      1  -0.429644D+01  0.164068D+01 -0.598625D+01  0.123163D+01 -0.147761D+02
      2   0.748652D+00 -0.111754D+01  0.460615D+01 -0.809536D+00 -0.140366D+02
      3   0.354779D+01 -0.523143D+00  0.138010D+01 -0.422092D+00  0.288127D+02
      4   0.485606D-01 -0.364260D+01 -0.220670D+01 -0.492730D+01  0.112067D+01
      5  -0.387071D+01  0.109188D+01  0.558264D+01  0.193620D+01 -0.273406D+02
      6  -0.181254D+01  0.783676D+01  0.376778D+00  0.484567D+01 -0.830293D+01
                91            92            93            94            95 
      1   0.143236D+01 -0.112371D+01  0.905894D+00 -0.178117D+01 -0.345450D+01
      2  -0.426256D+01  0.152857D+01 -0.116710D+00  0.194586D+01  0.110949D+01
      3   0.283020D+01 -0.404856D+00 -0.789184D+00 -0.164693D+00  0.234502D+01
      4  -0.337817D+00  0.159152D+01  0.231196D+01  0.183147D+01  0.107526D+01
      5   0.829223D+00  0.461012D+00  0.603765D+01 -0.850269D-01  0.709129D+00
      6   0.291100D+01  0.333792D-02 -0.281940D+00  0.306546D+00  0.306942D+01
                96            97            98            99           100 
      1  -0.201386D+01  0.892363D+00 -0.437259D+01 -0.151069D+02  0.103220D+02
      2   0.378850D+01 -0.129574D+01  0.551718D+01 -0.146735D+02 -0.528734D+01
      3  -0.177463D+01  0.403380D+00 -0.114459D+01  0.297804D+02 -0.503464D+01
      4   0.998243D+00  0.339574D+01  0.142356D+01  0.281072D+00  0.178566D+02
      5  -0.286955D+00  0.430018D+01  0.203908D+00  0.510671D+01 -0.184922D+01
      6   0.597196D+01  0.107248D+01  0.487897D+01  0.217540D+02 -0.435743D+01
               101           102           103           104           105 
      1  -0.198704D+02  0.313644D+00 -0.110980D+02 -0.438261D+01  0.477085D+01
      2   0.342285D+02  0.112058D+01  0.211128D+02  0.110437D+02 -0.359952D+01
      3  -0.143581D+02 -0.143422D+01 -0.100148D+02 -0.666112D+01 -0.117133D+01
      4   0.115173D+02 -0.359280D+01  0.116146D+02  0.241588D+02 -0.824570D+00
      5  -0.589226D+00  0.596091D+01 -0.776894D+00 -0.264884D+01  0.202373D+01
      6  -0.111283D+01  0.511819D+01  0.215980D+00 -0.680446D+01  0.795050D+01
               106           107           108           109           110 
      1  -0.676222D+00  0.919973D+01 -0.463660D+01  0.409124D+01  0.234059D+01
      2  -0.322189D+00 -0.135692D+02  0.162941D+01 -0.472521D+01 -0.175928D+01
      3   0.998411D+00  0.436951D+01  0.300719D+01  0.633965D+00 -0.581311D+00
      4  -0.560095D+01 -0.416413D+01  0.481813D+01  0.639524D+01 -0.164281D+02
      5   0.488739D+01  0.277676D+01 -0.101477D+01  0.120204D+02  0.195077D+01
      6   0.572501D+01  0.105475D+02 -0.450071D+01  0.301003D+01  0.244437D+01
               111           112           113           114           115 
      1   0.471055D+01  0.118159D+02 -0.201251D+02  0.221632D+01  0.136237D+02
      2  -0.536843D+01 -0.940553D+01  0.491941D+01  0.352258D+01 -0.411272D+01
      3   0.657886D+00 -0.241042D+01  0.152057D+02 -0.573890D+01 -0.951100D+01
      4   0.316338D+01 -0.280075D+02 -0.164827D+02  0.625494D+01 -0.224659D+01
      5   0.717648D+00 -0.866565D+00  0.707216D+01  0.901051D+00 -0.414878D+01
      6   0.430824D+01  0.710118D+00  0.136024D+01 -0.354275D+01 -0.463961D+00
               116           117           118           119           120 
      1   0.864548D+00  0.816871D+01  0.349666D+01  0.916208D+00 -0.271491D+01
      2   0.168229D+01  0.102750D+02 -0.471022D+01 -0.739914D+00  0.184062D+01
      3  -0.254683D+01 -0.184437D+02  0.121355D+01 -0.176295D+00  0.874286D+00
      4   0.944258D+01 -0.946590D+01  0.615594D+00  0.125237D+01  0.302315D+00
      5  -0.776663D+01 -0.389043D+02 -0.335428D+01  0.214368D+00  0.750175D+01
      6  -0.772425D+00 -0.306834D+01 -0.294274D+00 -0.451911D-01 -0.333744D+00
               121           122           123           124           125 
      1   0.107026D+01 -0.450920D+01 -0.711736D+00 -0.499311D+01  0.101802D+01
      2  -0.919291D+00  0.141664D+01  0.233521D+00  0.619488D+01 -0.110767D-01
      3  -0.150967D+00  0.309256D+01  0.478215D+00 -0.120177D+01 -0.100694D+01
      4   0.170345D+01  0.411802D+00 -0.220013D+01 -0.342429D+00 -0.295271D+01
      5  -0.783255D+00 -0.317640D+01  0.932812D+00  0.688524D+01  0.710099D+00
      6  -0.703803D+00 -0.441719D+00  0.689741D+01  0.786544D+00  0.403800D+01
               126           127           128           129           130 
      1  -0.142617D+02  0.580709D+01 -0.416151D+01  0.121241D+01 -0.968791D+00
      2  -0.143146D+02  0.241657D+01  0.919012D+01 -0.624199D+00  0.692760D+01
      3   0.285763D+02 -0.822366D+01 -0.502861D+01 -0.588213D+00 -0.595881D+01
      4   0.133389D+00  0.669997D+01  0.142894D+02 -0.126837D+00  0.170750D+02
      5  -0.227253D+02 -0.115079D+01 -0.909306D+00  0.557372D+01 -0.123025D+01
      6  -0.263632D+01 -0.565821D+00 -0.192120D+01  0.399547D+01 -0.203062D+00
               131           132           133           134           135 
      1  -0.301540D+02 -0.108030D+01 -0.290444D+00 -0.774772D+01  0.700028D+01
      2   0.565854D+02  0.184233D+01  0.828960D+00  0.664915D+01 -0.172903D+01
      3  -0.264314D+02 -0.762029D+00 -0.538516D+00  0.109857D+01 -0.527125D+01
      4   0.214498D+02 -0.279056D-02  0.103649D+01  0.213858D+01  0.542023D+00
      5   0.977782D-01  0.313209D+00  0.382319D+01 -0.864252D+00  0.858703D+01
      6  -0.359645D-01  0.571586D+01  0.187316D+01 -0.158555D+01  0.303523D+02
               136           137           138           139           140 
      1   0.495845D+00 -0.742741D+00  0.117822D+01 -0.100505D+01 -0.524314D+01
      2  -0.316179D+01  0.723941D+00 -0.242672D+00  0.137298D+01  0.374655D+01
      3   0.266595D+01  0.188007D-01 -0.935547D+00 -0.367930D+00  0.149659D+01
      4  -0.163735D+00  0.295729D+01  0.337878D+01  0.225612D+01  0.183017D+01
      5   0.173024D+01  0.108308D+01  0.700175D+01  0.881074D-01  0.118079D+01
      6   0.418603D+01  0.305410D+00  0.950290D+00  0.154984D+00  0.401382D+01
               141           142           143           144           145 
      1  -0.203547D+01  0.499367D+00 -0.690297D+01 -0.176350D+02  0.445527D+02
      2   0.372273D+01 -0.689866D+00  0.472342D+01 -0.110317D+02 -0.206792D+02
      3  -0.168726D+01  0.190499D+00  0.217955D+01  0.286666D+02 -0.238734D+02
      4   0.101255D+01  0.441149D+01  0.340156D+01  0.121828D+01 -0.333481D+02
      5  -0.504108D-01  0.483946D+01  0.221209D+01  0.111276D+02  0.187908D+01
      6   0.728872D+01  0.176923D+01  0.919859D+01  0.274327D+02 -0.339530D+01
               146           147           148           149           150 
      1  -0.446366D+01  0.404026D+01  0.244013D+01  0.174971D+01  0.520176D+00
      2  -0.267688D+01 -0.162834D+01 -0.355456D+01  0.980674D+00 -0.768346D+00
      3   0.714054D+01 -0.241192D+01  0.111443D+01 -0.273039D+01  0.248169D+00
      4   0.134937D+02 -0.190483D+01  0.415356D+01 -0.221345D+01  0.895334D+00
      5   0.194224D+00  0.602193D+01  0.876401D-02  0.962175D+00 -0.678290D+00
      6  -0.388397D+00 -0.445349D+01 -0.125340D+00 -0.643935D+00  0.420242D+00
               151           152           153           154           155 
      1   0.761732D+01 -0.182864D+00  0.368456D+01  0.154010D+02  0.976118D+01
      2  -0.377442D+01 -0.115901D+01 -0.295348D+01 -0.479316D+01 -0.166183D+01
      3  -0.384291D+01  0.134187D+01 -0.731081D+00 -0.106079D+02 -0.809935D+01
      4  -0.626583D+01  0.280179D+01 -0.385070D+01  0.145923D+02  0.163322D+02
      5   0.716878D+01 -0.165439D+01  0.124040D+01 -0.482267D+00 -0.155530D+00
      6  -0.393820D+01  0.224316D+01 -0.351769D+00  0.879446D-01  0.685512D+00
               156           157           158           159           160 
      1  -0.100241D+01  0.212219D+02  0.100932D+02  0.464960D+00 -0.363801D+01
      2   0.170978D+00 -0.607827D+01  0.589029D+01 -0.137391D+01  0.160778D+01
      3   0.831435D+00 -0.151436D+02 -0.159835D+02  0.908953D+00  0.203023D+01
      4  -0.540058D+00  0.266309D+02  0.360221D+02 -0.116730D+01 -0.322155D+01
      5   0.367026D+01  0.660993D+00 -0.167536D+01  0.577049D+01  0.560155D+01
      6   0.142890D+01  0.128817D+01  0.107643D+01  0.268046D+01  0.237709D+01
               161           162           163           164           165 
      1  -0.127389D+01  0.164065D+01 -0.555588D+01  0.158510D+02 -0.787111D-01
      2  -0.544021D+00 -0.122372D+01  0.941825D+01 -0.252111D+02 -0.469912D+00
      3   0.181791D+01 -0.416936D+00 -0.386237D+01  0.936013D+01  0.548623D+00
      4  -0.423991D+01  0.453702D+01 -0.838996D+01  0.704589D+01  0.101738D+01
      5   0.433947D+01  0.192214D+00  0.433129D+00 -0.709862D+00 -0.516983D+00
      6   0.344917D+01 -0.406318D+00  0.131024D+01 -0.177829D-01 -0.283951D+01
               166           167           168           169           170 
      1   0.759749D+01 -0.271553D+02 -0.556946D+00  0.709180D+00 -0.353538D+01
      2  -0.115149D+02  0.455694D+02  0.160618D+01 -0.127017D+01  0.529703D+01
      3   0.391744D+01 -0.184141D+02 -0.104924D+01  0.560993D+00 -0.176165D+01
      4   0.818451D+01 -0.574352D+01 -0.351826D+00  0.133881D+01 -0.520267D+00
      5  -0.523894D+00  0.822794D+00  0.373128D+00  0.112262D+01 -0.727456D-02
      6  -0.575785D+00  0.911783D+00  0.587297D+01 -0.170255D+01  0.697641D+01
               171           172           173           174           175 
      1  -0.416550D+01  0.608362D+02 -0.838276D+01 -0.677493D+01 -0.873105D+01
      2   0.410944D+01 -0.320190D+02 -0.219478D+01  0.625198D+01  0.756571D+00
      3   0.560525D-01 -0.288172D+02  0.105775D+02  0.522949D+00  0.797448D+01
      4  -0.104232D+01 -0.234225D+02  0.285405D+02  0.882815D+00  0.287669D+02
      5  -0.526737D+00 -0.101753D+02  0.208304D+00  0.129389D+02  0.104619D+01
      6   0.608673D-01  0.913816D+00 -0.731599D+00 -0.430678D+01 -0.495435D+00
               176           177           178           179           180 
      1   0.254292D+02 -0.383236D+01 -0.152762D+02  0.116686D+01  0.760456D+01
      2  -0.158749D+02  0.753647D+00  0.852764D+01  0.164082D+01 -0.991807D+01
      3  -0.955426D+01  0.307871D+01  0.674854D+01 -0.280767D+01  0.231351D+01
      4   0.439944D+01 -0.469573D+01  0.689291D+01 -0.996311D+01 -0.490484D+01
      5  -0.598467D+01 -0.239928D+00  0.180759D+02 -0.518137D+01 -0.630469D+01
      6   0.257614D+01  0.705623D+01 -0.381067D+01  0.471753D+01  0.333235D+01
               181           182           183           184           185 
      1  -0.108311D+01  0.153992D+01  0.794997D+01 -0.188937D+01  0.302300D+00
      2  -0.204246D+01 -0.486074D+00 -0.369374D+01  0.161666D+01 -0.147643D+01
      3   0.312557D+01 -0.105385D+01 -0.425624D+01  0.272716D+00  0.117413D+01
      4   0.137971D+01  0.306278D+01 -0.112025D+00  0.553165D+01  0.281438D+01
      5   0.674349D+01 -0.152637D+00  0.450967D+01 -0.959309D-01  0.528283D+01
      6   0.669022D-02 -0.600109D+00 -0.235168D+00  0.769654D+00  0.906620D+00
               186           187           188           189           190 
      1  -0.116951D+01  0.106564D+02 -0.420371D+01 -0.128898D+02  0.182191D+02
      2   0.430833D+00 -0.888651D+01  0.219234D-01 -0.176955D+02 -0.644410D+01
      3   0.738678D+00 -0.176987D+01  0.418178D+01  0.305853D+02 -0.117750D+02
      4   0.539572D+01  0.511555D-01  0.785082D+01  0.827484D+01  0.161505D+02
      5  -0.240239D+00  0.125913D+02  0.658496D+01  0.466309D+02 -0.424996D+01
      6   0.576621D+01  0.861823D+00  0.532698D+01  0.422558D+01 -0.969414D+00
               191           192           193           194           195 
      1   0.114865D+02 -0.420596D+01  0.167512D+02  0.838582D+01 -0.535879D+00
      2  -0.339824D+01  0.137283D+01 -0.518969D+01  0.605105D+01 -0.134812D+01
      3  -0.808827D+01  0.283313D+01 -0.115615D+02 -0.144369D+02  0.188400D+01
      4   0.176690D+02 -0.191775D+01  0.220100D+02  0.356904D+02 -0.507464D+01
      5  -0.137544D+01  0.483247D+01 -0.134951D+01 -0.467100D+01  0.595327D+01
      6  -0.399161D+00  0.151356D+01 -0.350266D+00 -0.170337D+01  0.322658D+01
               196           197           198           199           200 
      1  -0.853408D+01 -0.138637D+01  0.207676D+01 -0.145961D+01  0.266668D+01
      2   0.390261D+01 -0.531921D+00 -0.232316D+01  0.974248D+00 -0.246769D+01
      3   0.463147D+01  0.191829D+01  0.246400D+00  0.485359D+00 -0.198987D+00
      4  -0.346753D+01 -0.914171D+01  0.692002D+01  0.782224D+00  0.339030D+01
      5   0.700276D+01  0.704576D+01 -0.162789D+01 -0.506703D+00 -0.108669D+01
      6   0.216922D+01  0.391443D+01 -0.197307D+01 -0.294862D+01  0.157996D+01
               201           202           203           204           205 
      1  -0.239638D+01  0.795853D+00 -0.552592D+01  0.285402D+01 -0.183981D+01
      2   0.126779D+01 -0.448702D+00  0.799101D+01 -0.523482D+01 -0.251867D-01
      3   0.112859D+01 -0.347151D+00 -0.246509D+01  0.238079D+01  0.186500D+01
      4  -0.319898D+01  0.237564D+01  0.126174D+01 -0.110032D+01 -0.626149D+01
      5   0.128195D+01 -0.262168D+00 -0.109978D+01  0.126317D+01  0.225811D+01
      6  -0.379929D+01 -0.186468D+00 -0.569973D+01  0.640030D+01  0.379194D+00
               206           207           208           209           210 
      1   0.131034D+02 -0.163281D+02 -0.864275D+01 -0.795159D+01  0.154074D+01
      2  -0.139890D+02  0.552475D+01  0.613839D+01  0.770093D+01 -0.787493D+00
      3   0.885572D+00  0.108033D+02  0.250436D+01  0.250664D+00 -0.753245D+00
      4  -0.532805D+01  0.279707D+01 -0.213742D+00 -0.833735D+01 -0.144167D+00
      5   0.429710D+01 -0.101434D+02  0.145502D+01  0.608347D+00 -0.162960D+01
      6   0.182386D+02 -0.361671D+02 -0.606918D+00 -0.334522D+00  0.207628D+00
               211           212           213           214           215 
      1  -0.161237D+02 -0.145396D+02  0.180269D+01  0.297105D+01  0.188418D+01
      2   0.904058D+01  0.225371D+02 -0.215054D+01 -0.173353D+01 -0.235378D+01
      3   0.708311D+01 -0.799748D+01  0.347854D+00 -0.123752D+01  0.469605D+00
      4   0.471638D+01 -0.343957D+02  0.123409D+01 -0.542498D+00  0.443043D+01
      5   0.169237D+01  0.228240D+01 -0.693620D+01  0.215317D+01 -0.422488D+01
      6  -0.251203D-01 -0.121388D+01  0.321970D+01 -0.822477D-01  0.419742D+01
               216 
      1  -0.192340D+01
      2   0.972115D+00
      3   0.951282D+00
      4  -0.360143D+01
      5  -0.399817D+00
      6  -0.541406D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:54:58 2021, MaxMem=  5368709120 cpu:           16870.9 elap:            2110.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18179 -19.17903 -19.17275 -19.16770 -19.15991
 Alpha  occ. eigenvalues --  -19.14520 -10.31236 -10.26114 -10.25901 -10.25745
 Alpha  occ. eigenvalues --  -10.25709 -10.23857  -1.09778  -1.05542  -1.04502
 Alpha  occ. eigenvalues --   -1.03007  -1.02287  -1.01267  -0.80327  -0.78434
 Alpha  occ. eigenvalues --   -0.69984  -0.66723  -0.63597  -0.61648  -0.57979
 Alpha  occ. eigenvalues --   -0.56873  -0.54115  -0.52453  -0.51547  -0.51119
 Alpha  occ. eigenvalues --   -0.49037  -0.46897  -0.46467  -0.43849  -0.43256
 Alpha  occ. eigenvalues --   -0.41468  -0.40281  -0.39889  -0.38437  -0.37163
 Alpha  occ. eigenvalues --   -0.36750  -0.34268  -0.33719  -0.32114  -0.30851
 Alpha  occ. eigenvalues --   -0.29784  -0.28906  -0.28578
 Alpha virt. eigenvalues --   -0.00810   0.00129   0.01493   0.02057   0.03842
 Alpha virt. eigenvalues --    0.04270   0.04787   0.06064   0.06521   0.07363
 Alpha virt. eigenvalues --    0.08920   0.09725   0.09868   0.10294   0.10798
 Alpha virt. eigenvalues --    0.11009   0.11476   0.12572   0.13314   0.13519
 Alpha virt. eigenvalues --    0.14238   0.14677   0.15086   0.15771   0.16141
 Alpha virt. eigenvalues --    0.16710   0.16853   0.17382   0.18319   0.18832
 Alpha virt. eigenvalues --    0.19157   0.20085   0.20890   0.21820   0.22323
 Alpha virt. eigenvalues --    0.22959   0.23812   0.24166   0.24540   0.25382
 Alpha virt. eigenvalues --    0.25445   0.25811   0.26133   0.26923   0.27560
 Alpha virt. eigenvalues --    0.28047   0.28179   0.28775   0.29309   0.29951
 Alpha virt. eigenvalues --    0.30388   0.31066   0.31999   0.32075   0.32741
 Alpha virt. eigenvalues --    0.33456   0.33774   0.34232   0.34633   0.35002
 Alpha virt. eigenvalues --    0.35069   0.35305   0.35976   0.36290   0.36896
 Alpha virt. eigenvalues --    0.37945   0.38977   0.39891   0.40124   0.40682
 Alpha virt. eigenvalues --    0.40934   0.40952   0.41644   0.42224   0.42483
 Alpha virt. eigenvalues --    0.43389   0.44528   0.45540   0.46057   0.46404
 Alpha virt. eigenvalues --    0.46691   0.47423   0.48260   0.48462   0.49569
 Alpha virt. eigenvalues --    0.50152   0.50399   0.50952   0.51419   0.52211
 Alpha virt. eigenvalues --    0.52534   0.52997   0.53829   0.54285   0.54951
 Alpha virt. eigenvalues --    0.55400   0.55823   0.56160   0.56335   0.57142
 Alpha virt. eigenvalues --    0.57576   0.57858   0.58790   0.59294   0.59816
 Alpha virt. eigenvalues --    0.60553   0.60747   0.61715   0.62052   0.62366
 Alpha virt. eigenvalues --    0.62444   0.63756   0.64485   0.64634   0.65564
 Alpha virt. eigenvalues --    0.66332   0.66786   0.67067   0.67992   0.68551
 Alpha virt. eigenvalues --    0.70045   0.70928   0.71560   0.71909   0.73024
 Alpha virt. eigenvalues --    0.73611   0.75153   0.75687   0.76588   0.76986
 Alpha virt. eigenvalues --    0.77095   0.78210   0.78554   0.78917   0.79656
 Alpha virt. eigenvalues --    0.81059   0.81714   0.82571   0.83499   0.83669
 Alpha virt. eigenvalues --    0.84757   0.86167   0.87062   0.88309   0.89192
 Alpha virt. eigenvalues --    0.90234   0.92105   0.93352   0.94206   0.95824
 Alpha virt. eigenvalues --    0.97216   0.99458   1.00988   1.01898   1.02893
 Alpha virt. eigenvalues --    1.04762   1.06454   1.07020   1.07674   1.08911
 Alpha virt. eigenvalues --    1.10134   1.11176   1.12542   1.13857   1.14654
 Alpha virt. eigenvalues --    1.15903   1.18335   1.19419   1.20187   1.21700
 Alpha virt. eigenvalues --    1.23274   1.25182   1.26500   1.28691   1.30949
 Alpha virt. eigenvalues --    1.33999   1.34870   1.37027   1.37851   1.39083
 Alpha virt. eigenvalues --    1.41691   1.44215   1.46779   1.49142   1.50622
 Alpha virt. eigenvalues --    1.51891   1.53171   1.54297   1.55290   1.56808
 Alpha virt. eigenvalues --    1.57938   1.59162   1.62186   1.62668   1.64218
 Alpha virt. eigenvalues --    1.65932   1.67337   1.69329   1.70349   1.72074
 Alpha virt. eigenvalues --    1.72197   1.74452   1.76235   1.79221   1.81175
 Alpha virt. eigenvalues --    1.82172   1.82536   1.84687   1.86122   1.88363
 Alpha virt. eigenvalues --    1.89102   1.90006   1.91607   1.92834   1.93649
 Alpha virt. eigenvalues --    1.95850   1.96551   1.98006   1.98714   1.99095
 Alpha virt. eigenvalues --    2.00928   2.02271   2.03690   2.04370   2.05625
 Alpha virt. eigenvalues --    2.07067   2.08748   2.09637   2.09952   2.11459
 Alpha virt. eigenvalues --    2.12091   2.14278   2.16428   2.17389   2.18935
 Alpha virt. eigenvalues --    2.19958   2.20755   2.21179   2.23498   2.23931
 Alpha virt. eigenvalues --    2.25603   2.26732   2.27884   2.28739   2.31986
 Alpha virt. eigenvalues --    2.32394   2.33466   2.33766   2.34963   2.35307
 Alpha virt. eigenvalues --    2.36734   2.38620   2.38746   2.40238   2.41069
 Alpha virt. eigenvalues --    2.44648   2.45855   2.48419   2.49953   2.53629
 Alpha virt. eigenvalues --    2.55560   2.56976   2.62378   2.64106   2.67381
 Alpha virt. eigenvalues --    2.69305   2.72333   2.80471   2.87267   2.89018
 Alpha virt. eigenvalues --    2.93527   2.98494   2.99213   3.00594   3.02872
 Alpha virt. eigenvalues --    3.03099   3.04216   3.05121   3.05899   3.07166
 Alpha virt. eigenvalues --    3.08627   3.09261   3.11259   3.12170   3.14441
 Alpha virt. eigenvalues --    3.16230   3.17282   3.18655   3.20654   3.21996
 Alpha virt. eigenvalues --    3.23839   3.25243   3.28401   3.31933   3.49599
 Alpha virt. eigenvalues --    3.53862   3.54393   3.58367   3.58952   3.67134
 Alpha virt. eigenvalues --    3.78053   3.91834   3.95588   3.96816   3.96996
 Alpha virt. eigenvalues --    3.99101
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.097568  -0.209944  -0.311088  -0.130231  -0.031119  -0.047923
     2  C   -0.209944   6.244516  -0.063162  -0.016465  -0.116738  -0.289232
     3  C   -0.311088  -0.063162   6.164868  -0.041312  -0.156124  -0.089147
     4  C   -0.130231  -0.016465  -0.041312   6.382033  -0.588382   0.117935
     5  O   -0.031119  -0.116738  -0.156124  -0.588382  10.405999  -0.867417
     6  C   -0.047923  -0.289232  -0.089147   0.117935  -0.867417   6.062558
     7  O   -0.006600  -0.108825  -0.147239   0.031042   0.043164   0.008880
     8  H    0.381868  -0.037259   0.048932  -0.119055   0.043255  -0.052624
     9  O   -0.149486  -0.061646   0.004020  -0.010302   0.112438  -0.113729
    10  H    0.158552   0.337592  -0.086386  -0.006547  -0.148046   0.199964
    11  H    0.088872  -0.036957   0.287231   0.049246  -0.148579   0.049749
    12  O   -0.047404  -0.006134  -0.109201  -0.135265   0.061096   0.008894
    13  C    0.013057  -0.018270  -0.143377   0.112465  -0.029219   0.036510
    14  H   -0.042438   0.001832   0.225375   0.327251  -0.081180  -0.033415
    15  O    0.030057  -0.009235  -0.013021  -0.040703   0.071153  -0.286244
    16  H   -0.062218   0.145040  -0.002779   0.061846  -0.136693   0.361366
    17  H    0.052466  -0.028620   0.052950   0.005225  -0.006389   0.010676
    18  H    0.050834   0.039625   0.004628   0.002008   0.003672  -0.020423
    19  H   -0.054136   0.006398   0.103227   0.045668   0.001173  -0.002112
    20  O   -0.002636  -0.006868   0.004529  -0.070869  -0.010496   0.021091
    21  H   -0.002037   0.008304  -0.029276   0.139595  -0.010405  -0.006565
    22  H    0.019105  -0.000321  -0.038706  -0.001664   0.072511  -0.006333
    23  H   -0.000567  -0.014497   0.002672  -0.010089   0.025779   0.104323
    24  H    0.001049   0.000231   0.013823  -0.024820   0.053985  -0.008026
               7          8          9         10         11         12
     1  C   -0.006600   0.381868  -0.149486   0.158552   0.088872  -0.047404
     2  C   -0.108825  -0.037259  -0.061646   0.337592  -0.036957  -0.006134
     3  C   -0.147239   0.048932   0.004020  -0.086386   0.287231  -0.109201
     4  C    0.031042  -0.119055  -0.010302  -0.006547   0.049246  -0.135265
     5  O    0.043164   0.043255   0.112438  -0.148046  -0.148579   0.061096
     6  C    0.008880  -0.052624  -0.113729   0.199964   0.049749   0.008894
     7  O    8.293302  -0.049846   0.069746  -0.059569  -0.113890   0.047704
     8  H   -0.049846   0.963078  -0.071804   0.014290   0.050658  -0.045134
     9  O    0.069746  -0.071804   8.374184  -0.123182  -0.003809   0.009062
    10  H   -0.059569   0.014290  -0.123182   1.007493  -0.007855   0.001965
    11  H   -0.113890   0.050658  -0.003809  -0.007855   1.126491  -0.111699
    12  O    0.047704  -0.045134   0.009062   0.001965  -0.111699   8.341112
    13  C    0.008065   0.000922   0.002780  -0.000116  -0.032941   0.075856
    14  H    0.003901  -0.024153   0.001471  -0.003642   0.037426  -0.095796
    15  O   -0.001175   0.009774   0.008234  -0.023682  -0.005594   0.000052
    16  H    0.003039  -0.043934  -0.066563   0.018169  -0.000316   0.000403
    17  H    0.175487   0.004882  -0.000358   0.001643   0.007544  -0.001582
    18  H   -0.002781   0.007521   0.187692  -0.010649   0.000181  -0.000504
    19  H    0.013829  -0.009502   0.000900  -0.000100  -0.005630   0.149925
    20  O    0.000102   0.000612   0.000483  -0.000579  -0.000805   0.005905
    21  H    0.001567  -0.001026  -0.000371   0.000029  -0.027779  -0.010790
    22  H    0.000633   0.001500   0.000063   0.000339  -0.002464   0.034803
    23  H    0.000589   0.000733   0.007064  -0.020417   0.000449   0.000022
    24  H   -0.000098  -0.000099   0.000066   0.000085   0.001508   0.000734
              13         14         15         16         17         18
     1  C    0.013057  -0.042438   0.030057  -0.062218   0.052466   0.050834
     2  C   -0.018270   0.001832  -0.009235   0.145040  -0.028620   0.039625
     3  C   -0.143377   0.225375  -0.013021  -0.002779   0.052950   0.004628
     4  C    0.112465   0.327251  -0.040703   0.061846   0.005225   0.002008
     5  O   -0.029219  -0.081180   0.071153  -0.136693  -0.006389   0.003672
     6  C    0.036510  -0.033415  -0.286244   0.361366   0.010676  -0.020423
     7  O    0.008065   0.003901  -0.001175   0.003039   0.175487  -0.002781
     8  H    0.000922  -0.024153   0.009774  -0.043934   0.004882   0.007521
     9  O    0.002780   0.001471   0.008234  -0.066563  -0.000358   0.187692
    10  H   -0.000116  -0.003642  -0.023682   0.018169   0.001643  -0.010649
    11  H   -0.032941   0.037426  -0.005594  -0.000316   0.007544   0.000181
    12  O    0.075856  -0.095796   0.000052   0.000403  -0.001582  -0.000504
    13  C    4.394258  -0.101454  -0.005034   0.005455  -0.000149  -0.000024
    14  H   -0.101454   0.976694  -0.010106   0.006027  -0.000356   0.000440
    15  O   -0.005034  -0.010106   8.743817  -0.137207  -0.000368   0.000742
    16  H    0.005455   0.006027  -0.137207   1.201725   0.000172  -0.003975
    17  H   -0.000149  -0.000356  -0.000368   0.000172   0.606696   0.000697
    18  H   -0.000024   0.000440   0.000742  -0.003975   0.000697   0.604281
    19  H   -0.005710   0.008606   0.000011   0.000001  -0.001040  -0.000017
    20  O    0.150016  -0.025262  -0.001641   0.002755   0.000002  -0.000004
    21  H    0.215994   0.023488  -0.000498   0.001383  -0.000009   0.000012
    22  H    0.194436  -0.043749   0.000870   0.000172  -0.000023  -0.000002
    23  H    0.001066  -0.000566   0.047149   0.016564  -0.000022   0.001940
    24  H    0.004249   0.008469  -0.002923   0.004371  -0.000001  -0.000003
              19         20         21         22         23         24
     1  C   -0.054136  -0.002636  -0.002037   0.019105  -0.000567   0.001049
     2  C    0.006398  -0.006868   0.008304  -0.000321  -0.014497   0.000231
     3  C    0.103227   0.004529  -0.029276  -0.038706   0.002672   0.013823
     4  C    0.045668  -0.070869   0.139595  -0.001664  -0.010089  -0.024820
     5  O    0.001173  -0.010496  -0.010405   0.072511   0.025779   0.053985
     6  C   -0.002112   0.021091  -0.006565  -0.006333   0.104323  -0.008026
     7  O    0.013829   0.000102   0.001567   0.000633   0.000589  -0.000098
     8  H   -0.009502   0.000612  -0.001026   0.001500   0.000733  -0.000099
     9  O    0.000900   0.000483  -0.000371   0.000063   0.007064   0.000066
    10  H   -0.000100  -0.000579   0.000029   0.000339  -0.020417   0.000085
    11  H   -0.005630  -0.000805  -0.027779  -0.002464   0.000449   0.001508
    12  O    0.149925   0.005905  -0.010790   0.034803   0.000022   0.000734
    13  C   -0.005710   0.150016   0.215994   0.194436   0.001066   0.004249
    14  H    0.008606  -0.025262   0.023488  -0.043749  -0.000566   0.008469
    15  O    0.000011  -0.001641  -0.000498   0.000870   0.047149  -0.002923
    16  H    0.000001   0.002755   0.001383   0.000172   0.016564   0.004371
    17  H   -0.001040   0.000002  -0.000009  -0.000023  -0.000022  -0.000001
    18  H   -0.000017  -0.000004   0.000012  -0.000002   0.001940  -0.000003
    19  H    0.655937  -0.000365   0.003599  -0.003306   0.000010  -0.000136
    20  O   -0.000365   8.092645  -0.026181  -0.059657   0.000291   0.260396
    21  H    0.003599  -0.026181   0.998463  -0.082713   0.000419  -0.009438
    22  H   -0.003306  -0.059657  -0.082713   1.150737   0.000038   0.016711
    23  H    0.000010   0.000291   0.000419   0.000038   0.677857   0.000404
    24  H   -0.000136   0.260396  -0.009438   0.016711   0.000404   0.503281
 Mulliken charges:
               1
     1  C    0.204397
     2  C    0.240636
     3  C    0.318565
     4  C   -0.078610
     5  O   -0.563438
     6  C    0.841244
     7  O   -0.211027
     8  H   -0.073589
     9  O   -0.176951
    10  H   -0.249352
    11  H   -0.201039
    12  O   -0.174023
    13  C    1.121166
    14  H   -0.158862
    15  O   -0.374428
    16  H   -0.374806
    17  H    0.120477
    18  H    0.134109
    19  H    0.092770
    20  O   -0.333464
    21  H   -0.185765
    22  H   -0.252982
    23  H    0.158789
    24  H    0.176182
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.130808
     2  C   -0.008717
     3  C    0.117526
     4  C   -0.237472
     5  O   -0.563438
     6  C    0.466438
     7  O   -0.090550
     9  O   -0.042842
    12  O   -0.081253
    13  C    0.682419
    15  O   -0.215639
    20  O   -0.157283
 Electronic spatial extent (au):  <R**2>=           2205.7800
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.8660    Y=             -0.5646    Z=              1.4503  Tot=              3.2613
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.5983   YY=            -73.5267   ZZ=            -70.2562
   XY=              1.3517   XZ=              1.4683   YZ=             -3.6179
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.4712   YY=              1.6004   ZZ=              4.8709
   XY=              1.3517   XZ=              1.4683   YZ=             -3.6179
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -62.9562  YYY=              3.7426  ZZZ=              2.8133  XYY=             -6.8232
  XXY=              0.7612  XXZ=             11.6820  XZZ=             -2.4784  YZZ=             -9.4688
  YYZ=              9.7524  XYZ=              7.2240
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1694.2267 YYYY=           -999.3813 ZZZZ=           -144.9098 XXXY=             37.9351
 XXXZ=             16.3998 YYYX=            -36.6303 YYYZ=            -36.0557 ZZZX=             -1.6133
 ZZZY=             -9.1954 XXYY=           -387.1768 XXZZ=           -291.4560 YYZZ=           -181.5343
 XXYZ=            -15.3770 YYXZ=              1.8805 ZZXY=              6.7550
 N-N= 8.260189978020D+02 E-N=-3.260343345604D+03  KE= 6.804533736589D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:54:59 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13012779D+00-2.43535518D-01 5.71690121D-01
 Polarizability= 1.02820655D+02 2.08616172D+00 9.78110719D+01
                 2.63270382D-01-3.38801094D-01 7.81635240D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1699   -0.1691        0.7037    0.7058
 2      0.1699    0.1691        0.2368    0.2369       -2.7236   -2.7209
 3     -0.7037   -0.7058       12.8059   12.8035       -0.2369   -0.2369
 4     -0.2368   -0.2369        0.0000    0.0000       -0.7047   -0.7058
 5    -10.0824  -10.0826        0.7047    0.7058       -0.1701   -0.1691
 6      0.2369    0.2369        0.1701    0.1691        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5072    0.5072        2.1174    2.1174
 2     -0.7106   -0.7106       -0.0000    0.0000        2.1174    2.1174
 3     -0.7106   -0.7106        0.5072    0.5072        0.0000    0.0000
 4      0.5072    0.5072        0.7106    0.7106       -8.1628   -8.1628
 5     -2.1174   -2.1174       38.4106   38.4106       -0.7106   -0.7106
 6    -30.2478  -30.2478        2.1174    2.1174       -0.5072   -0.5072
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0174    0.0000        0.7508    0.6762       -2.6603   -2.8233
 2     -0.7449   -0.6762       -0.8775   -0.9475       10.9212   10.8837
 3      2.7646    2.8233      -51.1596  -51.2141        0.9470    0.9475
 4      0.9280    0.9475        0.0080    0.0000        3.0140    2.8233
 5     40.3651   40.3304       -2.7235   -2.8233        0.6727    0.6762
 6     -1.0224   -0.9475       -0.7179   -0.6762        0.0311    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0649    0.0000        9.8212    9.9157        6.7113    6.7843
 2     -9.7514   -9.9157       -5.7567   -5.7761       -2.6223   -2.6772
 3     -6.9305   -6.7843       -6.6311   -6.8480        5.9850    5.7761
 4      5.7619    5.7761        0.0779    0.0000       -6.7219   -6.7843
 5      9.4126    9.5252        6.8436    6.7843       10.0523    9.9157
 6     -5.7985   -5.7761       -9.9084   -9.9157       -0.0175    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -21.9270  -21.8710        3.5389    3.4567      -10.2203  -10.2514
 2    -20.6728  -20.6476       15.3049   15.2462      -10.1703  -10.2514
 3    -20.7049  -20.6476        3.5673    3.4567      -14.1535  -14.2320
 4    -11.6300  -11.7895       -1.1714   -1.2233       -8.1595   -8.1432
 5     -4.1356   -3.9806      -12.7436  -12.9387        1.3650    1.2233
 6     20.9729   21.0819        4.0226    3.9806       11.8772   11.7895
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.5076   -4.8705    0.0005    0.0008    0.0010    0.5232
 Low frequencies ---   70.9509  103.5575  117.2838
 Diagonal vibrational polarizability:
       69.7503613      44.7150144      59.1676933
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.9504               103.5561               117.2834
 Red. masses --      6.9694                 4.8288                 5.6334
 Frc consts  --      0.0207                 0.0305                 0.0457
 IR Inten    --      0.1918                 4.6923                 0.8313
 RamAct Fr= 1--      0.0174                 0.0509                 0.0627
  Dep-P Fr= 1--      0.7497                 0.6941                 0.6345
  Dep-U Fr= 1--      0.8569                 0.8194                 0.7764
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0025                 0.0070                 0.0081
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.0001
 Gamma2 Fr= 1--     -0.0355                -0.0942                -0.0080
 Delta2 Fr= 1--     -0.0064                -0.0161                -0.0097
 Raman1 Fr= 1--       0.070                  0.204                  0.251
 ROA1   Fr= 1--      -3.612                 -9.555                 -1.081
 CID1   Fr= 1--     -51.870                -46.901                 -4.314
 Raman2 Fr= 1--       0.030                  0.083                  0.097
 ROA2   Fr= 1--      -0.800                 -2.131                 -0.114
 CID2   Fr= 1--     -26.812                -25.526                 -1.176
 Raman3 Fr= 1--       0.060                  0.167                  0.195
 ROA3   Fr= 1--      -3.612                 -9.555                 -1.081
 CID3   Fr= 1--     -60.529                -57.235                 -5.556
 RC180  Fr= 1--       0.714                  0.639                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.03    -0.02   0.03   0.06     0.01  -0.01  -0.07
     2   6     0.03  -0.01   0.08    -0.00  -0.02  -0.06     0.05   0.01   0.03
     3   6     0.01   0.03  -0.12     0.01   0.05  -0.03    -0.02   0.01   0.03
     4   6     0.03   0.01  -0.06    -0.01   0.05  -0.04     0.01   0.08  -0.08
     5   8     0.00  -0.00  -0.13     0.02   0.08   0.08     0.06   0.04  -0.14
     6   6    -0.01   0.05  -0.11     0.06   0.01   0.02     0.03   0.02  -0.04
     7   8     0.02  -0.01   0.11    -0.01  -0.05   0.25    -0.05   0.01  -0.23
     8   1    -0.15  -0.01   0.03    -0.11   0.15   0.07     0.09  -0.10  -0.08
     9   8    -0.05  -0.00   0.28     0.06  -0.03  -0.21    -0.00  -0.04   0.18
    10   1     0.21  -0.04   0.08    -0.12  -0.06  -0.06     0.16   0.05   0.03
    11   1     0.09   0.14  -0.12     0.08   0.08  -0.03    -0.07  -0.15   0.04
    12   8    -0.03  -0.02  -0.28    -0.04   0.04  -0.09    -0.04   0.11   0.25
    13   6    -0.03   0.01   0.11     0.03   0.04  -0.14     0.03   0.01  -0.10
    14   1     0.13   0.03  -0.06    -0.09  -0.03  -0.04    -0.03   0.15  -0.08
    15   8     0.01  -0.01  -0.26     0.09   0.01   0.04     0.10   0.01   0.01
    16   1    -0.06   0.18  -0.12     0.12  -0.02   0.02    -0.06   0.00  -0.03
    17   1    -0.01  -0.03   0.23    -0.01   0.03   0.20    -0.04  -0.10  -0.19
    18   1     0.03  -0.04   0.21     0.03  -0.02  -0.22     0.05  -0.04   0.22
    19   1     0.02   0.02  -0.22    -0.01   0.06   0.00    -0.12   0.03   0.22
    20   8     0.02  -0.04   0.31    -0.14  -0.21   0.10    -0.15  -0.22   0.10
    21   1    -0.18   0.09   0.11     0.10   0.35  -0.14     0.04   0.23  -0.10
    22   1     0.03  -0.02   0.11     0.13  -0.10  -0.43     0.17  -0.12  -0.29
    23   1     0.09  -0.14  -0.28    -0.03   0.06   0.06     0.21   0.03  -0.00
    24   1    -0.05  -0.01   0.26    -0.32  -0.08   0.25    -0.39  -0.09   0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    147.7520               189.1491               234.1075
 Red. masses --      5.8293                 2.5972                 2.9835
 Frc consts  --      0.0750                 0.0547                 0.0963
 IR Inten    --      1.4341                 0.4614                12.0813
 RamAct Fr= 1--      0.0768                 0.1202                 0.3197
  Dep-P Fr= 1--      0.5387                 0.7092                 0.7442
  Dep-U Fr= 1--      0.7002                 0.8299                 0.8534
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0090                 0.0166                 0.0455
 AlphaG Fr= 1--      0.0001                -0.0008                -0.0007
 Gamma2 Fr= 1--     -0.0098                -0.1640                 0.1172
 Delta2 Fr= 1--      0.0143                -0.1512                 0.0945
 Raman1 Fr= 1--       0.307                  0.481                  1.279
 ROA1   Fr= 1--      -0.484                -20.580                 14.275
 CID1   Fr= 1--      -1.576                -42.790                 11.164
 Raman2 Fr= 1--       0.108                  0.200                  0.546
 ROA2   Fr= 1--      -0.349                 -2.725                  2.057
 CID2   Fr= 1--      -3.247                -13.655                  3.771
 Raman3 Fr= 1--       0.215                  0.399                  1.091
 ROA3   Fr= 1--      -0.484                -20.580                 14.275
 CID3   Fr= 1--      -2.251                -51.562                 13.083
 RC180  Fr= 1--       0.400                  0.660                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.04     0.01   0.01   0.01     0.04  -0.01   0.00
     2   6     0.01  -0.01   0.08     0.02  -0.00  -0.02     0.04  -0.01  -0.02
     3   6    -0.00   0.08   0.07     0.00   0.06   0.01     0.02   0.02   0.02
     4   6     0.00   0.02   0.19     0.03   0.07   0.04    -0.02  -0.01   0.01
     5   8    -0.03   0.07   0.30     0.01   0.03  -0.10    -0.02  -0.00   0.03
     6   6     0.07   0.07   0.05     0.01  -0.00  -0.03    -0.00  -0.05  -0.02
     7   8    -0.06   0.02  -0.14    -0.05  -0.04   0.02    -0.16  -0.16  -0.03
     8   1     0.09  -0.11   0.03     0.02   0.03   0.01     0.07  -0.01  -0.00
     9   8     0.02  -0.04   0.07     0.02   0.02  -0.03    -0.01   0.23   0.01
    10   1     0.01  -0.02   0.08     0.02  -0.02  -0.02     0.05  -0.03  -0.02
    11   1    -0.02   0.22   0.07    -0.00   0.14   0.01     0.02   0.05   0.02
    12   8    -0.01   0.01  -0.10    -0.03   0.05  -0.08     0.10  -0.02  -0.01
    13   6     0.06  -0.05   0.02    -0.01  -0.13   0.18    -0.00   0.04  -0.05
    14   1    -0.06  -0.07   0.19     0.14   0.17   0.04    -0.06  -0.02   0.01
    15   8     0.05  -0.03  -0.27     0.09   0.01   0.10     0.03  -0.05  -0.00
    16   1     0.26   0.27   0.05    -0.06  -0.07  -0.03     0.03  -0.06  -0.02
    17   1    -0.03  -0.04  -0.20    -0.05  -0.13   0.05    -0.16  -0.58   0.23
    18   1     0.13  -0.10  -0.11    -0.06   0.07   0.08    -0.34   0.37   0.25
    19   1    -0.03   0.03  -0.22    -0.02   0.05  -0.07     0.20   0.06   0.02
    20   8    -0.11  -0.09  -0.18    -0.08  -0.06  -0.08     0.01   0.02   0.02
    21   1     0.23  -0.10   0.02    -0.11  -0.47   0.17     0.05   0.15  -0.05
    22   1     0.08  -0.07  -0.01     0.09  -0.07   0.50    -0.04   0.03  -0.15
    23   1    -0.14  -0.23  -0.25     0.24   0.08   0.08     0.05  -0.04  -0.01
    24   1    -0.16  -0.06  -0.13    -0.18  -0.06  -0.36     0.03   0.03   0.10
                      7                      8                      9
                      A                      A                      A
 Frequencies --    242.6956               274.4546               301.7581
 Red. masses --      3.5848                 2.8232                 3.3018
 Frc consts  --      0.1244                 0.1253                 0.1771
 IR Inten    --     12.1176                 8.7307                12.3648
 RamAct Fr= 1--      0.4309                 0.2628                 0.4712
  Dep-P Fr= 1--      0.4593                 0.7089                 0.4218
  Dep-U Fr= 1--      0.6294                 0.8297                 0.5933
 Alpha2 Fr= 1--      0.0025                 0.0002                 0.0032
 Beta2  Fr= 1--      0.0452                 0.0363                 0.0466
 AlphaG Fr= 1--     -0.0001                 0.0010                 0.0028
 Gamma2 Fr= 1--     -0.0644                -0.0351                -0.0205
 Delta2 Fr= 1--     -0.0831                 0.0395                -0.0201
 Raman1 Fr= 1--       1.723                  1.051                  1.885
 ROA1   Fr= 1--      -8.842                 -2.102                 -2.609
 CID1   Fr= 1--      -5.131                 -1.999                 -1.384
 Raman2 Fr= 1--       0.542                  0.436                  0.559
 ROA2   Fr= 1--      -0.881                 -1.158                 -0.330
 CID2   Fr= 1--      -1.625                 -2.655                 -0.590
 Raman3 Fr= 1--       1.085                  0.872                  1.118
 ROA3   Fr= 1--      -8.842                 -2.102                 -2.609
 CID3   Fr= 1--      -8.151                 -2.410                 -2.333
 RC180  Fr= 1--       0.259                  0.659                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.09  -0.06    -0.04   0.03   0.01    -0.04   0.02  -0.17
     2   6     0.08   0.04  -0.07    -0.05  -0.01   0.02    -0.04   0.01  -0.14
     3   6    -0.02   0.04  -0.02    -0.03  -0.02   0.01    -0.01  -0.01  -0.14
     4   6    -0.03   0.01   0.02    -0.07  -0.01   0.01     0.03  -0.02  -0.03
     5   8     0.03  -0.02  -0.01    -0.02  -0.00  -0.00    -0.09   0.10   0.15
     6   6     0.04   0.03  -0.03    -0.01  -0.01   0.01     0.01   0.01  -0.04
     7   8    -0.14  -0.04   0.04     0.05   0.10  -0.00     0.05  -0.02   0.06
     8   1    -0.05   0.16  -0.06    -0.05   0.02   0.01    -0.14   0.13  -0.16
     9   8     0.07  -0.18   0.06    -0.04  -0.03  -0.03    -0.12  -0.05   0.06
    10   1     0.16   0.08  -0.06    -0.09  -0.00   0.01     0.07   0.10  -0.13
    11   1    -0.08   0.05  -0.02    -0.05  -0.01   0.01    -0.12  -0.11  -0.14
    12   8     0.22  -0.05   0.00     0.16  -0.11  -0.00     0.00   0.07   0.07
    13   6    -0.03   0.03   0.02    -0.09   0.05   0.01     0.03  -0.08   0.02
    14   1    -0.01   0.02   0.02    -0.07   0.01   0.01     0.09  -0.19  -0.03
    15   8    -0.12   0.09   0.02     0.16  -0.07  -0.01     0.07   0.01  -0.00
    16   1     0.07  -0.03  -0.03    -0.05   0.02   0.01     0.16  -0.04  -0.04
    17   1    -0.15  -0.22   0.17     0.05   0.26  -0.08    -0.03  -0.11   0.39
    18   1     0.39  -0.31  -0.12    -0.16   0.06   0.24    -0.16   0.02   0.37
    19   1     0.46   0.15   0.15     0.32   0.03   0.04     0.09   0.08   0.36
    20   8    -0.07   0.02  -0.02    -0.11   0.06   0.00     0.08  -0.03  -0.02
    21   1    -0.03   0.01   0.02    -0.09   0.07   0.01    -0.02  -0.17   0.02
    22   1    -0.03   0.02   0.03    -0.11   0.06  -0.01     0.05  -0.06   0.12
    23   1    -0.28   0.16   0.05     0.68  -0.21  -0.10     0.19   0.02  -0.02
    24   1    -0.11   0.03  -0.04    -0.15   0.07  -0.06     0.20  -0.07   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    323.2862               344.1330               376.8943
 Red. masses --      2.4291                 1.9138                 1.2630
 Frc consts  --      0.1496                 0.1335                 0.1057
 IR Inten    --     62.5230                14.5118                70.3080
 RamAct Fr= 1--      1.4428                 1.5464                 1.3388
  Dep-P Fr= 1--      0.4687                 0.0882                 0.5813
  Dep-U Fr= 1--      0.6383                 0.1621                 0.7352
 Alpha2 Fr= 1--      0.0082                 0.0279                 0.0042
 Beta2  Fr= 1--      0.1535                 0.0418                 0.1641
 AlphaG Fr= 1--      0.0007                -0.0164                 0.0047
 Gamma2 Fr= 1--      0.8564                 0.0866                 0.3259
 Delta2 Fr= 1--      0.5836                -0.0406                 0.3521
 Raman1 Fr= 1--       5.771                  6.186                  5.355
 ROA1   Fr= 1--     100.888                  7.020                 42.557
 CID1   Fr= 1--      17.481                  1.135                  7.947
 Raman2 Fr= 1--       1.842                  0.501                  1.969
 ROA2   Fr= 1--      15.884                  2.404                  5.006
 CID2   Fr= 1--       8.624                  4.796                  2.543
 Raman3 Fr= 1--       3.684                  1.003                  3.937
 ROA3   Fr= 1--     100.888                  7.020                 42.557
 CID3   Fr= 1--      27.388                  7.002                 10.808
 RC180  Fr= 1--       0.277                 -0.676                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03   0.07     0.03   0.00  -0.04     0.00  -0.02   0.02
     2   6    -0.06   0.04   0.07     0.08   0.02  -0.03    -0.02   0.00   0.06
     3   6    -0.00   0.01   0.04    -0.01  -0.01  -0.00     0.01  -0.02  -0.01
     4   6     0.03  -0.01   0.00    -0.01  -0.02   0.04    -0.00   0.00  -0.03
     5   8    -0.01  -0.00  -0.03     0.03  -0.06   0.04    -0.00   0.01  -0.01
     6   6    -0.04   0.09   0.03     0.03  -0.01  -0.02    -0.01   0.02   0.04
     7   8    -0.14   0.03  -0.03     0.07   0.01   0.00     0.05   0.05  -0.06
     8   1    -0.02  -0.01   0.06     0.03   0.03  -0.04    -0.01  -0.09   0.01
     9   8     0.01  -0.07  -0.07     0.09  -0.02  -0.02     0.01   0.00  -0.03
    10   1    -0.14   0.02   0.06     0.10   0.03  -0.03    -0.08  -0.01   0.06
    11   1     0.05   0.03   0.04    -0.06  -0.01  -0.00     0.03  -0.04  -0.01
    12   8     0.00  -0.02  -0.02    -0.07   0.01   0.01    -0.01  -0.01  -0.00
    13   6     0.09  -0.06  -0.04    -0.03   0.04   0.01    -0.02  -0.00   0.00
    14   1    -0.01   0.02   0.00    -0.00  -0.05   0.04     0.00  -0.01  -0.03
    15   8    -0.04   0.08  -0.00    -0.13   0.03  -0.01     0.02  -0.01  -0.01
    16   1    -0.12   0.17   0.02     0.07  -0.00  -0.02    -0.06   0.06   0.04
    17   1    -0.13  -0.14   0.04     0.00  -0.19   0.36    -0.10  -0.46   0.73
    18   1    -0.03  -0.02   0.18    -0.14   0.15   0.55     0.13  -0.10  -0.34
    19   1     0.04   0.02  -0.00    -0.23  -0.09  -0.22     0.07   0.03   0.15
    20   8     0.14  -0.06   0.01    -0.07   0.02  -0.01    -0.01   0.01   0.01
    21   1     0.11  -0.02  -0.04     0.02   0.08   0.01    -0.07  -0.03   0.00
    22   1     0.08  -0.07  -0.08    -0.05   0.04  -0.04    -0.01   0.01   0.05
    23   1     0.74  -0.18  -0.14     0.45  -0.16  -0.11    -0.06  -0.03   0.00
    24   1     0.26  -0.09   0.17    -0.16   0.05  -0.10    -0.05   0.01  -0.09
                     13                     14                     15
                      A                      A                      A
 Frequencies --    391.9660               394.1525               411.3216
 Red. masses --      1.5840                 1.7859                 1.4693
 Frc consts  --      0.1434                 0.1635                 0.1465
 IR Inten    --     87.6481                13.2908               167.6052
 RamAct Fr= 1--      2.1841                 1.1658                 2.0245
  Dep-P Fr= 1--      0.6973                 0.7423                 0.4900
  Dep-U Fr= 1--      0.8217                 0.8521                 0.6578
 Alpha2 Fr= 1--      0.0020                 0.0002                 0.0105
 Beta2  Fr= 1--      0.2991                 0.1656                 0.2219
 AlphaG Fr= 1--      0.0012                 0.0013                -0.0126
 Gamma2 Fr= 1--     -0.5491                 0.3827                -1.3955
 Delta2 Fr= 1--     -0.3703                 0.0555                -0.9931
 Raman1 Fr= 1--       8.736                  4.663                  8.098
 ROA1   Fr= 1--     -64.567                 38.515               -165.748
 CID1   Fr= 1--      -7.391                  8.259                -20.468
 Raman2 Fr= 1--       3.589                  1.987                  2.663
 ROA2   Fr= 1--     -10.217                  8.741                -25.548
 CID2   Fr= 1--      -2.846                  4.400                 -9.593
 Raman3 Fr= 1--       7.179                  3.974                  5.326
 ROA3   Fr= 1--     -64.567                 38.515               -165.748
 CID3   Fr= 1--      -8.994                  9.693                -31.118
 RC180  Fr= 1--       0.643                  0.704                  0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.01     0.03  -0.01   0.01     0.04  -0.02  -0.02
     2   6    -0.04  -0.01  -0.01     0.04  -0.00   0.08     0.02  -0.01  -0.05
     3   6    -0.02  -0.04   0.04     0.03   0.04  -0.06    -0.00  -0.00   0.04
     4   6     0.05   0.02   0.06    -0.02  -0.01  -0.08     0.00   0.01   0.07
     5   8     0.05  -0.00  -0.02    -0.02   0.00   0.03    -0.02  -0.01  -0.01
     6   6     0.01   0.02  -0.01    -0.02  -0.02   0.07    -0.00  -0.01  -0.05
     7   8     0.02   0.02  -0.02    -0.01  -0.03  -0.01     0.05  -0.04  -0.01
     8   1     0.02  -0.02   0.01    -0.01  -0.06   0.01     0.09   0.02  -0.02
     9   8    -0.04  -0.02  -0.02     0.09  -0.00  -0.03    -0.03   0.04   0.04
    10   1    -0.05  -0.02  -0.01    -0.02   0.03   0.08     0.07  -0.04  -0.05
    11   1    -0.04   0.00   0.04     0.11  -0.00  -0.06    -0.03   0.05   0.04
    12   8    -0.05  -0.09  -0.05    -0.02   0.09  -0.02    -0.06  -0.02  -0.05
    13   6     0.08   0.05   0.01    -0.06  -0.02  -0.01     0.02   0.03   0.01
    14   1     0.07   0.07   0.06    -0.03  -0.09  -0.08     0.02   0.04   0.07
    15   8    -0.00   0.05  -0.01    -0.06  -0.05  -0.03    -0.04   0.02   0.03
    16   1     0.02   0.03  -0.01    -0.06   0.04   0.07     0.02  -0.06  -0.05
    17   1     0.00   0.01   0.04     0.05   0.12  -0.30     0.05   0.02  -0.05
    18   1    -0.25   0.12   0.40     0.00   0.05   0.10     0.21  -0.12  -0.45
    19   1     0.27   0.07   0.56     0.27   0.19   0.71     0.17   0.08   0.45
    20   8     0.01  -0.01   0.00     0.00   0.01   0.02    -0.05   0.01  -0.03
    21   1     0.16   0.11   0.02    -0.17  -0.09  -0.01     0.12   0.08   0.02
    22   1     0.08   0.02  -0.07    -0.04   0.00   0.09    -0.01   0.01  -0.07
    23   1    -0.32   0.15   0.05     0.10  -0.21  -0.06     0.48  -0.06  -0.05
    24   1    -0.22   0.05  -0.28    -0.09   0.01  -0.23     0.15  -0.01   0.37
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.1040               424.2858               447.6371
 Red. masses --      1.4122                 4.0325                 3.9807
 Frc consts  --      0.1427                 0.4277                 0.4700
 IR Inten    --    142.1686                22.1317                 6.8372
 RamAct Fr= 1--      1.1948                 4.0583                 6.8635
  Dep-P Fr= 1--      0.6804                 0.4384                 0.1545
  Dep-U Fr= 1--      0.8098                 0.6096                 0.2677
 Alpha2 Fr= 1--      0.0015                 0.0260                 0.1049
 Beta2  Fr= 1--      0.1613                 0.4123                 0.3062
 AlphaG Fr= 1--      0.0008                 0.0096                 0.0162
 Gamma2 Fr= 1--     -0.2492                 0.3545                 0.5065
 Delta2 Fr= 1--     -0.3071                -0.0114                 0.7605
 Raman1 Fr= 1--       4.779                 16.233                 27.454
 ROA1   Fr= 1--     -33.745                 33.670                 72.962
 CID1   Fr= 1--      -7.061                  2.074                  2.658
 Raman2 Fr= 1--       1.935                  4.948                  3.674
 ROA2   Fr= 1--      -3.523                  8.600                  6.073
 CID2   Fr= 1--      -1.821                  1.738                  1.653
 Raman3 Fr= 1--       3.870                  9.895                  7.348
 ROA3   Fr= 1--     -33.745                 33.670                 72.962
 CID3   Fr= 1--      -8.719                  3.403                  9.929
 RC180  Fr= 1--       0.620                  0.219                 -0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.02    -0.10   0.06  -0.07    -0.04   0.14   0.00
     2   6     0.03   0.01   0.01     0.06   0.10   0.01     0.04   0.00  -0.11
     3   6    -0.03   0.01   0.01    -0.11  -0.14  -0.10    -0.05   0.11   0.06
     4   6    -0.03  -0.02   0.00    -0.00  -0.11  -0.05    -0.05  -0.03   0.10
     5   8     0.03  -0.04  -0.02     0.12  -0.09   0.07     0.01  -0.13   0.00
     6   6     0.03  -0.02   0.00     0.12   0.07   0.04     0.02  -0.16  -0.06
     7   8    -0.02   0.07  -0.01    -0.11   0.03   0.04    -0.07   0.20   0.00
     8   1    -0.02   0.03   0.02    -0.21   0.08  -0.06     0.01   0.24   0.01
     9   8     0.06  -0.01  -0.02     0.07   0.16   0.04    -0.02   0.01   0.04
    10   1     0.03   0.00   0.01     0.09   0.16   0.01     0.13  -0.04  -0.10
    11   1    -0.01   0.02   0.01    -0.14  -0.25  -0.09    -0.08   0.21   0.06
    12   8    -0.03   0.00  -0.01    -0.11  -0.13   0.03    -0.04   0.09  -0.04
    13   6    -0.04  -0.04   0.01    -0.04  -0.04   0.01     0.04  -0.03  -0.05
    14   1    -0.02   0.00   0.00     0.02  -0.23  -0.05    -0.14   0.01   0.10
    15   8     0.04  -0.02  -0.01     0.09   0.09  -0.01     0.01  -0.17   0.03
    16   1     0.02  -0.02   0.00     0.16   0.12   0.04     0.08  -0.28  -0.06
    17   1    -0.04   0.00   0.10    -0.07   0.16  -0.16    -0.11   0.05   0.23
    18   1    -0.11   0.10   0.30     0.20   0.04  -0.41     0.11  -0.06  -0.16
    19   1     0.07   0.05   0.19    -0.07  -0.13   0.16     0.04   0.14   0.11
    20   8    -0.03  -0.00  -0.05     0.01  -0.01   0.01     0.12  -0.04   0.04
    21   1    -0.05  -0.09   0.01    -0.12  -0.10   0.00     0.16   0.10  -0.04
    22   1    -0.03  -0.03   0.07    -0.04  -0.01   0.08    -0.03  -0.04  -0.20
    23   1    -0.31   0.07   0.04     0.20   0.02  -0.03     0.03  -0.13   0.03
    24   1     0.42  -0.08   0.71    -0.13  -0.01  -0.30    -0.15  -0.01  -0.51
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.2955               574.3006               601.5330
 Red. masses --      3.6520                 3.4770                 5.0703
 Frc consts  --      0.5215                 0.6757                 1.0809
 IR Inten    --      2.5234                31.5423                 5.9013
 RamAct Fr= 1--      5.6358                 1.9238                 0.1179
  Dep-P Fr= 1--      0.1044                 0.1577                 0.7482
  Dep-U Fr= 1--      0.1890                 0.2724                 0.8560
 Alpha2 Fr= 1--      0.0976                 0.0292                 0.0000
 Beta2  Fr= 1--      0.1776                 0.0873                 0.0168
 AlphaG Fr= 1--     -0.0267                 0.0077                -0.0000
 Gamma2 Fr= 1--     -0.5582                -0.2193                 0.0648
 Delta2 Fr= 1--     -0.2466                -0.0711                 0.0519
 Raman1 Fr= 1--      22.543                  7.695                  0.472
 ROA1   Fr= 1--     -61.476                -23.333                  7.883
 CID1   Fr= 1--      -2.727                 -3.032                 16.709
 Raman2 Fr= 1--       2.131                  1.048                  0.202
 ROA2   Fr= 1--     -11.424                 -4.695                  1.140
 CID2   Fr= 1--      -5.362                 -4.480                  5.647
 Raman3 Fr= 1--       4.261                  2.096                  0.404
 ROA3   Fr= 1--     -61.476                -23.333                  7.883
 CID3   Fr= 1--     -14.426                -11.133                 19.521
 RC180  Fr= 1--      -0.622                 -0.455                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.11    -0.04  -0.03   0.17    -0.13  -0.07  -0.04
     2   6    -0.07   0.01   0.08    -0.02  -0.14  -0.05     0.10  -0.11   0.05
     3   6    -0.05   0.02  -0.15     0.07  -0.03  -0.03    -0.20  -0.00  -0.01
     4   6     0.12   0.05   0.05     0.08   0.03  -0.15    -0.05   0.20  -0.02
     5   8     0.13  -0.08  -0.06     0.11   0.05   0.08    -0.09   0.23  -0.01
     6   6    -0.02  -0.04   0.14     0.15  -0.07  -0.08     0.01  -0.07  -0.04
     7   8    -0.02  -0.01   0.04    -0.07   0.12  -0.04     0.04   0.05   0.00
     8   1    -0.30  -0.07  -0.10    -0.04  -0.06   0.16    -0.30  -0.18  -0.04
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.01     0.19   0.07   0.01
    10   1    -0.18   0.17   0.08     0.01  -0.45  -0.06     0.20  -0.20   0.05
    11   1    -0.21   0.01  -0.14     0.31  -0.13  -0.03    -0.38  -0.03  -0.01
    12   8     0.07   0.08   0.04     0.03   0.01   0.01     0.01  -0.17   0.03
    13   6     0.15   0.09   0.10     0.00   0.02   0.01     0.07  -0.01  -0.01
    14   1     0.31   0.02   0.05     0.08  -0.09  -0.14    -0.08   0.30  -0.02
    15   8    -0.08  -0.12  -0.03    -0.12   0.02   0.03    -0.11  -0.08   0.02
    16   1    -0.12   0.02   0.14     0.35  -0.16  -0.07     0.01  -0.15  -0.03
    17   1    -0.04   0.11   0.04    -0.06   0.02  -0.04    -0.02   0.22   0.10
    18   1    -0.07   0.01  -0.17    -0.17   0.02  -0.10    -0.00   0.11  -0.08
    19   1    -0.01   0.04  -0.11    -0.00  -0.02   0.01     0.17   0.02  -0.11
    20   8    -0.07  -0.01  -0.06    -0.05   0.01  -0.00     0.10  -0.05   0.00
    21   1     0.27   0.10   0.10    -0.22  -0.16   0.01     0.01  -0.11  -0.02
    22   1     0.19   0.04   0.02     0.13   0.04   0.25     0.21  -0.04   0.10
    23   1     0.01  -0.36  -0.05     0.20  -0.03  -0.03     0.03  -0.13  -0.00
    24   1    -0.02   0.04   0.29    -0.04   0.03   0.10     0.07  -0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    633.9880               640.3201               887.4094
 Red. masses --      2.9748                 4.0606                 2.1011
 Frc consts  --      0.7045                 0.9809                 0.9749
 IR Inten    --     13.3044                15.1450                50.9626
 RamAct Fr= 1--      0.3785                 0.1631                 2.4631
  Dep-P Fr= 1--      0.5818                 0.6551                 0.4177
  Dep-U Fr= 1--      0.7356                 0.7916                 0.5892
 Alpha2 Fr= 1--      0.0012                 0.0003                 0.0171
 Beta2  Fr= 1--      0.0464                 0.0215                 0.2419
 AlphaG Fr= 1--     -0.0019                 0.0003                -0.0402
 Gamma2 Fr= 1--     -0.0438                 0.0982                -0.5023
 Delta2 Fr= 1--      0.0065                -0.0160                -0.1941
 Raman1 Fr= 1--       1.514                  0.653                  9.853
 ROA1   Fr= 1--      -3.999                  8.913                -54.434
 CID1   Fr= 1--      -2.641                 13.658                 -5.525
 Raman2 Fr= 1--       0.557                  0.258                  2.903
 ROA2   Fr= 1--      -1.103                  2.484                -10.503
 CID2   Fr= 1--      -1.981                  9.618                 -3.618
 Raman3 Fr= 1--       1.114                  0.517                  5.805
 ROA3   Fr= 1--      -3.999                  8.913                -54.434
 CID3   Fr= 1--      -3.591                 17.254                 -9.376
 RC180  Fr= 1--       0.471                  0.583                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.09  -0.06    -0.05  -0.09  -0.04     0.01  -0.01  -0.01
     2   6    -0.02   0.12  -0.09    -0.04  -0.06   0.02     0.01  -0.02  -0.01
     3   6     0.03  -0.02   0.13    -0.13   0.12   0.06     0.05  -0.02  -0.04
     4   6    -0.00   0.10  -0.09    -0.14   0.06   0.04     0.01  -0.05   0.08
     5   8     0.09   0.08  -0.00     0.18  -0.08  -0.00     0.03   0.14  -0.08
     6   6     0.03  -0.01   0.14     0.14   0.03   0.06     0.10   0.01   0.06
     7   8    -0.01  -0.03   0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1     0.33   0.30  -0.05    -0.07  -0.19  -0.05    -0.04   0.00  -0.00
     9   8    -0.08  -0.02   0.01    -0.11   0.02  -0.01    -0.02   0.00   0.00
    10   1    -0.07   0.39  -0.08    -0.11  -0.07   0.02    -0.01  -0.02  -0.02
    11   1     0.08  -0.06   0.13    -0.30   0.28   0.05     0.03  -0.02  -0.03
    12   8    -0.06  -0.12  -0.02     0.06   0.08  -0.01    -0.00  -0.00   0.01
    13   6    -0.02  -0.01  -0.04    -0.12  -0.09  -0.10    -0.12  -0.11   0.04
    14   1    -0.15   0.20  -0.09    -0.40   0.17   0.04     0.28   0.06   0.08
    15   8    -0.05  -0.11  -0.02    -0.02   0.11  -0.02    -0.03  -0.01   0.00
    16   1     0.04  -0.05   0.14     0.20   0.10   0.05     0.11  -0.04   0.06
    17   1     0.02  -0.10  -0.04     0.07   0.11   0.08    -0.01  -0.01  -0.01
    18   1     0.10  -0.06   0.08    -0.18   0.03  -0.07    -0.05   0.01  -0.01
    19   1    -0.01  -0.07  -0.03     0.17   0.20  -0.06    -0.07  -0.07   0.05
    20   8     0.01  -0.01   0.01     0.08  -0.03   0.03    -0.01   0.02  -0.00
    21   1    -0.24  -0.19  -0.04    -0.24  -0.17  -0.10     0.27   0.34   0.06
    22   1     0.12   0.00   0.21    -0.08  -0.07   0.04    -0.40  -0.16  -0.50
    23   1    -0.03  -0.40  -0.04     0.06  -0.01  -0.04    -0.04  -0.22  -0.01
    24   1     0.03  -0.01   0.06     0.16  -0.10  -0.07     0.22  -0.14  -0.20
                     25                     26                     27
                      A                      A                      A
 Frequencies --    996.6430              1014.6264              1022.1587
 Red. masses --      3.9070                 3.5547                 4.0888
 Frc consts  --      2.2865                 2.1561                 2.5170
 IR Inten    --     76.0596                23.8244                18.8584
 RamAct Fr= 1--      0.4335                 0.5644                 1.1657
  Dep-P Fr= 1--      0.2451                 0.6681                 0.6898
  Dep-U Fr= 1--      0.3937                 0.8010                 0.8164
 Alpha2 Fr= 1--      0.0052                 0.0008                 0.0012
 Beta2  Fr= 1--      0.0284                 0.0753                 0.1586
 AlphaG Fr= 1--      0.0066                 0.0080                -0.0010
 Gamma2 Fr= 1--      0.0302                 0.1363                 0.4876
 Delta2 Fr= 1--      0.0602                 0.1439                 0.2368
 Raman1 Fr= 1--       1.734                  2.257                  4.663
 ROA1   Fr= 1--       4.824                 17.695                 54.386
 CID1   Fr= 1--       2.782                  7.839                 11.664
 Raman2 Fr= 1--       0.341                  0.904                  1.903
 ROA2   Fr= 1--       0.242                  2.121                  9.807
 CID2   Fr= 1--       0.710                  2.346                  5.152
 Raman3 Fr= 1--       0.683                  1.808                  3.807
 ROA3   Fr= 1--       4.824                 17.695                 54.386
 CID3   Fr= 1--       7.067                  9.786                 14.286
 RC180  Fr= 1--      -0.213                  0.602                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.12   0.23     0.13   0.07   0.04     0.22   0.08  -0.11
     2   6     0.02   0.19   0.05     0.10  -0.18  -0.08     0.09  -0.07   0.21
     3   6    -0.17   0.06  -0.14    -0.10   0.03  -0.07     0.06   0.07  -0.14
     4   6    -0.08  -0.00  -0.05    -0.12  -0.05  -0.04     0.00   0.08   0.10
     5   8     0.01   0.01   0.01    -0.08  -0.01  -0.06     0.10   0.01   0.05
     6   6     0.08   0.01  -0.10     0.01  -0.02   0.20    -0.09  -0.07  -0.11
     7   8     0.10  -0.10  -0.06     0.00   0.04   0.01    -0.06   0.08   0.07
     8   1     0.01  -0.06   0.20     0.25   0.26   0.04    -0.04   0.03  -0.10
     9   8    -0.09  -0.01  -0.04    -0.04  -0.02   0.01    -0.10  -0.04  -0.06
    10   1    -0.10  -0.04   0.04     0.07  -0.24  -0.08     0.05  -0.09   0.19
    11   1    -0.02  -0.06  -0.13    -0.07  -0.05  -0.07    -0.29   0.07  -0.12
    12   8    -0.03  -0.05   0.04    -0.02  -0.01   0.01    -0.05  -0.11   0.05
    13   6    -0.01   0.04   0.10     0.05   0.10   0.09    -0.06  -0.02  -0.06
    14   1     0.18  -0.17  -0.04    -0.04  -0.14  -0.04    -0.04   0.11   0.09
    15   8    -0.02  -0.09   0.02     0.03   0.14  -0.03    -0.01   0.00  -0.00
    16   1     0.15  -0.05  -0.10    -0.06  -0.04   0.19    -0.17   0.13  -0.11
    17   1     0.17  -0.30  -0.19     0.10  -0.25  -0.17     0.10  -0.38  -0.24
    18   1     0.38  -0.10   0.23    -0.30   0.03  -0.14    -0.25  -0.02  -0.14
    19   1     0.18   0.19  -0.14     0.07   0.09  -0.05    -0.07  -0.13   0.07
    20   8     0.04  -0.05  -0.03     0.05  -0.06  -0.04     0.01  -0.01   0.01
    21   1     0.18   0.18   0.10     0.13   0.04   0.09    -0.11  -0.08  -0.06
    22   1    -0.01  -0.04  -0.13     0.06   0.09   0.08    -0.02  -0.01   0.02
    23   1     0.01   0.13   0.03    -0.10  -0.45  -0.05     0.10   0.38   0.00
    24   1     0.05  -0.06  -0.06    -0.12   0.05   0.06     0.05  -0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1053.3295              1069.4374              1085.5385
 Red. masses --      2.7780                 3.6072                 3.8266
 Frc consts  --      1.8160                 2.4307                 2.6567
 IR Inten    --     87.9063               216.1320                 2.9076
 RamAct Fr= 1--      1.5443                 4.2220                 0.2345
  Dep-P Fr= 1--      0.5001                 0.2371                 0.4309
  Dep-U Fr= 1--      0.6668                 0.3833                 0.6022
 Alpha2 Fr= 1--      0.0076                 0.0519                 0.0015
 Beta2  Fr= 1--      0.1716                 0.2697                 0.0235
 AlphaG Fr= 1--     -0.0180                 0.0072                 0.0002
 Gamma2 Fr= 1--      0.0285                 0.2502                 0.4009
 Delta2 Fr= 1--      0.0998                 0.1442                 0.5270
 Raman1 Fr= 1--       6.177                 16.888                  0.938
 ROA1   Fr= 1--       5.934                 28.632                 55.350
 CID1   Fr= 1--       0.961                  1.695                 59.007
 Raman2 Fr= 1--       2.059                  3.237                  0.282
 ROA2   Fr= 1--      -0.114                  4.851                  5.405
 CID2   Fr= 1--      -0.055                  1.499                 19.135
 Raman3 Fr= 1--       4.119                  6.473                  0.565
 ROA3   Fr= 1--       5.934                 28.632                 55.350
 CID3   Fr= 1--       1.441                  4.423                 97.978
 RC180  Fr= 1--       0.334                 -0.233                  0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.01   0.05  -0.04     0.02  -0.12   0.08
     2   6    -0.03   0.06   0.00    -0.10  -0.07  -0.01    -0.04   0.03  -0.15
     3   6     0.08  -0.12  -0.07    -0.08  -0.01   0.10     0.06  -0.03  -0.12
     4   6    -0.14  -0.05   0.15     0.06  -0.09  -0.07    -0.02   0.29   0.01
     5   8     0.02   0.08  -0.06     0.16   0.07   0.06     0.02  -0.14   0.08
     6   6     0.04  -0.01  -0.03    -0.17  -0.02  -0.06    -0.11  -0.04   0.05
     7   8    -0.02   0.01   0.00     0.02  -0.02  -0.01    -0.03   0.04   0.01
     8   1    -0.13  -0.11   0.02     0.29   0.23  -0.03    -0.07  -0.09   0.08
     9   8    -0.00   0.01  -0.00     0.09  -0.00   0.04     0.05   0.02   0.03
    10   1    -0.05   0.05   0.00    -0.04  -0.00   0.00    -0.07   0.05  -0.14
    11   1     0.07  -0.02  -0.07     0.01  -0.09   0.10     0.22  -0.11  -0.12
    12   8     0.04   0.06  -0.02    -0.00   0.04  -0.02     0.02  -0.03   0.01
    13   6    -0.04   0.16  -0.01    -0.16   0.13   0.09    -0.14   0.03   0.06
    14   1    -0.29   0.07   0.15     0.39  -0.11  -0.06     0.07   0.36   0.03
    15   8    -0.01  -0.02   0.01    -0.01  -0.01  -0.01     0.04   0.06  -0.03
    16   1     0.11  -0.07  -0.02    -0.15   0.09  -0.05    -0.14  -0.11   0.05
    17   1    -0.01  -0.04  -0.01    -0.02   0.07   0.06    -0.00  -0.06  -0.03
    18   1     0.14  -0.02   0.07    -0.21   0.05  -0.15     0.26  -0.02   0.13
    19   1    -0.29  -0.32   0.23     0.17   0.23  -0.15    -0.11  -0.17   0.10
    20   8     0.09  -0.11  -0.04     0.09  -0.13  -0.07     0.05  -0.06  -0.04
    21   1    -0.08  -0.26  -0.02    -0.08   0.16   0.08    -0.01   0.31   0.06
    22   1    -0.14   0.30   0.31    -0.34   0.15  -0.08     0.07  -0.16  -0.21
    23   1    -0.01  -0.07   0.00     0.08   0.23  -0.00    -0.02  -0.05  -0.02
    24   1    -0.29   0.13   0.19    -0.07  -0.02   0.05     0.28  -0.21  -0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1094.2491              1101.0153              1110.5272
 Red. masses --      3.7391                 2.8179                 3.0851
 Frc consts  --      2.6378                 2.0126                 2.2417
 IR Inten    --    188.6867                14.7454               120.2010
 RamAct Fr= 1--      5.8011                 5.6959                 6.1269
  Dep-P Fr= 1--      0.4665                 0.2131                 0.7354
  Dep-U Fr= 1--      0.6362                 0.3513                 0.8475
 Alpha2 Fr= 1--      0.0332                 0.0747                 0.0015
 Beta2  Fr= 1--      0.6151                 0.3335                 0.8655
 AlphaG Fr= 1--     -0.0387                 0.0197                 0.0000
 Gamma2 Fr= 1--     -0.4002                -0.8102                -0.3484
 Delta2 Fr= 1--     -0.0008                -0.3310                -0.5618
 Raman1 Fr= 1--      23.205                 22.784                 24.507
 ROA1   Fr= 1--     -38.447                -88.371                -51.421
 CID1   Fr= 1--      -1.657                 -3.879                 -2.098
 Raman2 Fr= 1--       7.381                  4.002                 10.386
 ROA2   Fr= 1--      -9.599                -16.797                 -3.866
 CID2   Fr= 1--      -1.300                 -4.197                 -0.372
 Raman3 Fr= 1--      14.763                  8.003                 20.771
 ROA3   Fr= 1--     -38.447                -88.371                -51.421
 CID3   Fr= 1--      -2.604                -11.042                 -2.476
 RC180  Fr= 1--       0.272                 -0.297                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.07     0.01   0.04  -0.12    -0.20   0.21   0.00
     2   6     0.12   0.05   0.06    -0.02  -0.02   0.15     0.09  -0.05   0.02
     3   6     0.08   0.17   0.08     0.00  -0.12   0.08     0.16   0.08  -0.02
     4   6     0.14   0.01  -0.06    -0.11   0.08  -0.10    -0.06   0.04   0.03
     5   8    -0.14  -0.07  -0.02    -0.08  -0.05   0.01     0.03  -0.01   0.01
     6   6     0.14   0.01   0.02     0.15  -0.03  -0.05    -0.06   0.01   0.02
     7   8    -0.03   0.02   0.02    -0.01   0.00   0.02     0.07  -0.13  -0.09
     8   1    -0.12  -0.29  -0.07     0.19   0.10  -0.11    -0.27   0.21  -0.01
     9   8    -0.09   0.00  -0.05    -0.02  -0.01  -0.02    -0.02  -0.02  -0.01
    10   1     0.13   0.15   0.05    -0.03   0.23   0.16     0.21  -0.19   0.01
    11   1     0.05   0.19   0.08     0.17  -0.28   0.07     0.47   0.02  -0.01
    12   8    -0.04  -0.08   0.04     0.04   0.07  -0.06    -0.02  -0.07   0.03
    13   6    -0.13   0.13   0.02     0.01   0.03   0.14    -0.01   0.01   0.03
    14   1     0.34  -0.08  -0.04    -0.19   0.16  -0.10    -0.09   0.04   0.03
    15   8     0.00   0.00   0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
    16   1     0.07  -0.02   0.01     0.19   0.12  -0.06    -0.11   0.03   0.03
    17   1    -0.12   0.28   0.15    -0.01   0.02   0.01    -0.08   0.30   0.19
    18   1     0.11  -0.03   0.09    -0.22   0.03  -0.11    -0.30   0.04  -0.17
    19   1     0.13   0.11  -0.07    -0.12  -0.11   0.08    -0.19  -0.26   0.12
    20   8     0.08  -0.10  -0.06     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    21   1    -0.17   0.03   0.00     0.13   0.34   0.14     0.05   0.05   0.03
    22   1    -0.35   0.24   0.06     0.17  -0.14  -0.17     0.03  -0.02  -0.02
    23   1    -0.05  -0.10   0.01     0.07   0.27   0.01    -0.01  -0.05  -0.00
    24   1    -0.20   0.07   0.12     0.17  -0.12  -0.12     0.02  -0.01   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1116.0466              1141.8687              1158.8695
 Red. masses --      3.7940                 3.8332                 2.8519
 Frc consts  --      2.7843                 2.9447                 2.2566
 IR Inten    --    135.5346                 6.2671                41.1292
 RamAct Fr= 1--      5.2281                 5.1641                 3.2537
  Dep-P Fr= 1--      0.4801                 0.7172                 0.4063
  Dep-U Fr= 1--      0.6487                 0.8353                 0.5778
 Alpha2 Fr= 1--      0.0283                 0.0029                 0.0236
 Beta2  Fr= 1--      0.5653                 0.7189                 0.3133
 AlphaG Fr= 1--     -0.0153                -0.0022                -0.0077
 Gamma2 Fr= 1--      1.2771                -1.3733                 1.6526
 Delta2 Fr= 1--      0.7381                -0.7049                 1.1349
 Raman1 Fr= 1--      20.912                 20.656                 13.015
 ROA1   Fr= 1--     146.219               -154.396                194.970
 CID1   Fr= 1--       6.992                 -7.475                 14.981
 Raman2 Fr= 1--       6.783                  8.627                  3.760
 ROA2   Fr= 1--      24.746                -27.320                 30.584
 CID2   Fr= 1--       3.648                 -3.167                  8.134
 Raman3 Fr= 1--      13.566                 17.254                  7.520
 ROA3   Fr= 1--     146.219               -154.396                194.970
 CID3   Fr= 1--      10.778                 -8.948                 25.926
 RC180  Fr= 1--       0.297                  0.671                  0.156
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.00     0.05  -0.08  -0.06     0.04  -0.12  -0.01
     2   6    -0.18  -0.11  -0.05    -0.23   0.00  -0.01     0.13  -0.04  -0.09
     3   6     0.02   0.03  -0.07     0.11   0.25  -0.07     0.01   0.04  -0.00
     4   6     0.08   0.09   0.06    -0.14  -0.08  -0.05    -0.10  -0.06  -0.04
     5   8    -0.09  -0.09  -0.04     0.04   0.03  -0.03     0.07   0.02   0.00
     6   6     0.15   0.24   0.02     0.04  -0.10  -0.03    -0.07   0.22   0.01
     7   8     0.02  -0.01  -0.00    -0.03   0.01   0.02    -0.04   0.04   0.02
     8   1     0.06   0.28  -0.00     0.14  -0.09  -0.07     0.06  -0.18  -0.01
     9   8     0.10   0.00   0.07     0.11   0.01   0.06    -0.05   0.01  -0.02
    10   1    -0.22  -0.27  -0.05    -0.39   0.22   0.01     0.25  -0.10  -0.10
    11   1    -0.08   0.06  -0.07     0.29   0.28  -0.06     0.06   0.06  -0.01
    12   8    -0.02  -0.04   0.02    -0.06  -0.12   0.08     0.00  -0.01   0.01
    13   6    -0.05   0.02  -0.07     0.08   0.00   0.08     0.03   0.03   0.08
    14   1     0.12   0.00   0.07    -0.25  -0.25  -0.06    -0.33  -0.16  -0.04
    15   8    -0.04  -0.14   0.05    -0.01   0.04  -0.02    -0.02  -0.14   0.04
    16   1     0.24   0.40   0.00     0.24  -0.12  -0.03    -0.13   0.54   0.01
    17   1     0.11  -0.29  -0.17    -0.08   0.16   0.14    -0.09   0.20   0.12
    18   1    -0.26   0.08  -0.11     0.03   0.03   0.00     0.06  -0.02   0.05
    19   1    -0.02  -0.04   0.01     0.06   0.01  -0.02    -0.01  -0.02   0.02
    20   8     0.02  -0.02   0.00    -0.01   0.01  -0.01    -0.01  -0.01  -0.02
    21   1    -0.12  -0.12  -0.08     0.15   0.10   0.09    -0.02   0.19   0.09
    22   1    -0.09   0.10   0.09     0.15  -0.06  -0.03     0.23  -0.11  -0.04
    23   1     0.01   0.16   0.07     0.06   0.14  -0.02     0.04   0.23   0.06
    24   1    -0.04   0.01   0.03    -0.03   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1201.1061              1235.6450              1238.8256
 Red. masses --      1.2908                 1.2449                 1.1876
 Frc consts  --      1.0971                 1.1199                 1.0739
 IR Inten    --     21.5944                22.7025                 7.9979
 RamAct Fr= 1--      0.7170                 4.2843                 3.4548
  Dep-P Fr= 1--      0.5552                 0.7499                 0.3873
  Dep-U Fr= 1--      0.7140                 0.8571                 0.5583
 Alpha2 Fr= 1--      0.0027                 0.0000                 0.0268
 Beta2  Fr= 1--      0.0853                 0.6120                 0.3215
 AlphaG Fr= 1--      0.0044                -0.0006                 0.0031
 Gamma2 Fr= 1--      0.6056                -2.2434                 0.2565
 Delta2 Fr= 1--      0.6535                -1.0210                 0.6963
 Raman1 Fr= 1--       2.868                 17.137                 13.819
 ROA1   Fr= 1--      79.048               -248.039                 46.910
 CID1   Fr= 1--      27.560                -14.474                  3.394
 Raman2 Fr= 1--       1.024                  7.344                  3.858
 ROA2   Fr= 1--       9.306                -45.673                  0.587
 CID2   Fr= 1--       9.089                 -6.219                  0.152
 Raman3 Fr= 1--       2.048                 14.688                  7.716
 ROA3   Fr= 1--      79.048               -248.039                 46.910
 CID3   Fr= 1--      38.602                -16.887                  6.080
 RC180  Fr= 1--       0.428                  0.714                  0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.04    -0.03  -0.02   0.06     0.02   0.02  -0.04
     2   6     0.04  -0.02  -0.01     0.01   0.00  -0.01    -0.02   0.00   0.05
     3   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.01    -0.03  -0.01  -0.03
     4   6    -0.03   0.05   0.05     0.05  -0.04   0.04    -0.00   0.01   0.06
     5   8    -0.00  -0.00  -0.00    -0.02   0.02  -0.02    -0.00   0.00  -0.01
     6   6     0.02  -0.02   0.00     0.03  -0.03  -0.01     0.01   0.01  -0.02
     7   8    -0.01   0.00  -0.01     0.01   0.00  -0.01    -0.02  -0.02   0.00
     8   1     0.36   0.17   0.05    -0.01   0.16   0.07     0.52   0.01  -0.05
     9   8    -0.01  -0.01  -0.00     0.01  -0.02   0.00    -0.01   0.01  -0.01
    10   1     0.07   0.49   0.02     0.07   0.45   0.01    -0.02  -0.37   0.03
    11   1     0.37  -0.15  -0.06    -0.12   0.29  -0.01     0.09  -0.07  -0.03
    12   8    -0.00   0.00   0.01     0.01  -0.00   0.01     0.01   0.00  -0.00
    13   6     0.01  -0.03  -0.05    -0.02   0.06  -0.01    -0.02   0.03  -0.04
    14   1     0.21  -0.10   0.05    -0.02  -0.16   0.04     0.17  -0.23   0.06
    15   8    -0.01  -0.01  -0.01    -0.01   0.01  -0.00     0.01   0.01   0.01
    16   1    -0.08   0.18  -0.00    -0.07  -0.02  -0.01    -0.06  -0.13  -0.02
    17   1    -0.06   0.15   0.10     0.03  -0.08  -0.04    -0.14   0.34   0.22
    18   1    -0.18   0.02  -0.10    -0.25   0.04  -0.14     0.20  -0.03   0.12
    19   1     0.08   0.10  -0.07    -0.06  -0.07   0.05    -0.03  -0.04   0.01
    20   8     0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.21  -0.23  -0.05    -0.40   0.18  -0.01    -0.15  -0.00  -0.04
    22   1    -0.15   0.07   0.04     0.38  -0.12   0.04     0.26  -0.08   0.05
    23   1     0.07   0.22  -0.00     0.02   0.03  -0.01    -0.08  -0.21   0.01
    24   1    -0.12   0.09   0.08     0.28  -0.20  -0.17     0.18  -0.12  -0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1259.9350              1279.2518              1317.8586
 Red. masses --      1.1653                 1.3214                 1.2185
 Frc consts  --      1.0899                 1.2741                 1.2469
 IR Inten    --     18.6768                54.2007                 5.6650
 RamAct Fr= 1--      3.7431                 2.9696                 2.5173
  Dep-P Fr= 1--      0.4365                 0.2019                 0.7429
  Dep-U Fr= 1--      0.6077                 0.3359                 0.8525
 Alpha2 Fr= 1--      0.0242                 0.0401                 0.0003
 Beta2  Fr= 1--      0.3791                 0.1663                 0.3576
 AlphaG Fr= 1--      0.0558                 0.0067                -0.0002
 Gamma2 Fr= 1--      0.4568                -0.9019                -0.3841
 Delta2 Fr= 1--     -0.3779                -1.0593                -0.1717
 Raman1 Fr= 1--      14.972                 11.878                 10.069
 ROA1   Fr= 1--      31.763               -120.476                -42.368
 CID1   Fr= 1--       2.121                -10.143                 -4.208
 Raman2 Fr= 1--       4.550                  1.995                  4.292
 ROA2   Fr= 1--      13.986                -13.170                 -7.845
 CID2   Fr= 1--       3.074                 -6.601                 -1.828
 Raman3 Fr= 1--       9.099                  3.990                  8.584
 ROA3   Fr= 1--      31.763               -120.476                -42.368
 CID3   Fr= 1--       3.491                -30.192                 -4.936
 RC180  Fr= 1--       0.215                 -0.328                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.04     0.00  -0.04   0.01     0.03   0.02   0.01
     2   6     0.01  -0.02   0.00    -0.05   0.07   0.03     0.01   0.02  -0.01
     3   6    -0.03  -0.01  -0.03    -0.01  -0.00  -0.03    -0.01   0.00   0.01
     4   6     0.02  -0.01  -0.07    -0.01   0.01  -0.03    -0.04  -0.03  -0.00
     5   8    -0.01  -0.00   0.02     0.01  -0.02   0.02    -0.01  -0.01  -0.02
     6   6     0.00  -0.02   0.02    -0.03   0.08  -0.06    -0.07  -0.02   0.07
     7   8    -0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1     0.29   0.16   0.04     0.22  -0.04   0.00    -0.05  -0.24  -0.01
     9   8    -0.01   0.01  -0.00     0.01  -0.03  -0.01     0.00  -0.01  -0.00
    10   1    -0.10  -0.01   0.00     0.59   0.01   0.05     0.14  -0.03  -0.00
    11   1    -0.34   0.50  -0.04     0.02   0.21  -0.04    -0.00  -0.01   0.01
    12   8     0.03  -0.01   0.00     0.00  -0.00   0.01     0.00   0.00  -0.00
    13   6     0.01  -0.03   0.02     0.01  -0.02   0.02    -0.01   0.03  -0.04
    14   1     0.02   0.22  -0.07    -0.05   0.14  -0.03     0.41   0.23   0.00
    15   8    -0.00  -0.00  -0.01     0.01  -0.00   0.03     0.00  -0.01  -0.02
    16   1    -0.00   0.12   0.02     0.16  -0.30  -0.04     0.71   0.05   0.08
    17   1    -0.09   0.21   0.14     0.01  -0.05  -0.02    -0.03   0.07   0.05
    18   1     0.11  -0.02   0.06    -0.37   0.05  -0.20    -0.07   0.01  -0.03
    19   1    -0.28  -0.35   0.22    -0.02  -0.03   0.02    -0.02  -0.03   0.02
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.01
    21   1     0.06   0.01   0.01     0.09  -0.00   0.02     0.05  -0.11  -0.04
    22   1    -0.18   0.04  -0.05    -0.09   0.01  -0.03     0.21  -0.04   0.05
    23   1     0.04   0.15  -0.00    -0.12  -0.40   0.01     0.10   0.25  -0.01
    24   1    -0.12   0.08   0.07    -0.08   0.06   0.05     0.10  -0.07  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1320.6059              1345.3082              1359.0493
 Red. masses --      1.2621                 1.2460                 1.2546
 Frc consts  --      1.2969                 1.3286                 1.3653
 IR Inten    --     33.3439                53.1275                11.3336
 RamAct Fr= 1--      2.2375                 2.2250                 1.3630
  Dep-P Fr= 1--      0.7500                 0.5218                 0.2413
  Dep-U Fr= 1--      0.8571                 0.6858                 0.3888
 Alpha2 Fr= 1--      0.0000                 0.0099                 0.0166
 Beta2  Fr= 1--      0.3196                 0.2543                 0.0883
 AlphaG Fr= 1--      0.0001                 0.0032                 0.0092
 Gamma2 Fr= 1--      2.1152                -0.5012                -0.3967
 Delta2 Fr= 1--      0.6341                 0.9085                -0.2766
 Raman1 Fr= 1--       8.950                  8.900                  5.452
 ROA1   Fr= 1--     223.346                -19.041                -46.931
 CID1   Fr= 1--      24.955                 -2.139                 -8.608
 Raman2 Fr= 1--       3.836                  3.052                  1.060
 ROA2   Fr= 1--      45.692                -19.297                 -7.307
 CID2   Fr= 1--      11.912                 -6.323                 -6.894
 Raman3 Fr= 1--       7.671                  6.103                  2.120
 ROA3   Fr= 1--     223.346                -19.041                -46.931
 CID3   Fr= 1--      29.114                 -3.120                -22.140
 RC180  Fr= 1--       0.714                  0.372                 -0.222
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.07  -0.05  -0.05     0.00   0.02  -0.02
     2   6    -0.00   0.01  -0.02    -0.03  -0.04   0.04     0.04  -0.01  -0.01
     3   6    -0.03   0.04   0.07    -0.02  -0.01   0.01    -0.02  -0.02  -0.02
     4   6    -0.07   0.03  -0.04    -0.00  -0.02   0.00    -0.01  -0.08  -0.02
     5   8     0.02  -0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.04
     6   6     0.02   0.02  -0.02    -0.01  -0.02   0.02     0.03   0.02  -0.05
     7   8     0.01   0.02   0.01     0.02   0.02   0.01     0.00   0.00   0.01
     8   1    -0.16  -0.13  -0.02    -0.01   0.47  -0.02     0.01  -0.17  -0.04
     9   8     0.00  -0.00   0.01    -0.02   0.04  -0.03     0.00  -0.00   0.02
    10   1    -0.03   0.02  -0.02     0.31  -0.10   0.06    -0.36   0.05  -0.03
    11   1     0.02   0.13   0.07     0.36   0.31  -0.01     0.29   0.24  -0.04
    12   8     0.04  -0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.00   0.02
    13   6    -0.02   0.01  -0.02     0.00   0.01  -0.00    -0.01   0.05  -0.02
    14   1     0.49  -0.43  -0.03     0.05   0.08  -0.00     0.11   0.62  -0.02
    15   8     0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.02
    16   1    -0.25  -0.03  -0.03     0.12   0.13   0.02    -0.26   0.04  -0.05
    17   1     0.09  -0.21  -0.13     0.13  -0.31  -0.19     0.01  -0.01  -0.01
    18   1    -0.04   0.01  -0.02     0.42  -0.06   0.21    -0.07   0.01  -0.04
    19   1    -0.26  -0.33   0.20     0.03   0.03  -0.02     0.08   0.10  -0.05
    20   8     0.00   0.01   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.28  -0.18  -0.02     0.01  -0.02  -0.00     0.19  -0.16  -0.02
    22   1     0.12  -0.04   0.02     0.03   0.00   0.01     0.10   0.03   0.07
    23   1    -0.03  -0.08   0.00    -0.00   0.03   0.00    -0.06  -0.20   0.01
    24   1     0.02  -0.01  -0.02     0.04  -0.03  -0.02     0.18  -0.13  -0.11
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1369.1088              1385.6796              1402.7508
 Red. masses --      1.2764                 1.2550                 1.4008
 Frc consts  --      1.4097                 1.4198                 1.6240
 IR Inten    --      1.5876                23.2594                 5.5738
 RamAct Fr= 1--      3.1741                 5.1820                 2.7267
  Dep-P Fr= 1--      0.5471                 0.7411                 0.7443
  Dep-U Fr= 1--      0.7073                 0.8513                 0.8534
 Alpha2 Fr= 1--      0.0123                 0.0008                 0.0003
 Beta2  Fr= 1--      0.3742                 0.7352                 0.3878
 AlphaG Fr= 1--     -0.0120                 0.0122                -0.0030
 Gamma2 Fr= 1--     -0.1687                -0.3331                 0.2174
 Delta2 Fr= 1--     -0.0933                -1.1844                -0.9443
 Raman1 Fr= 1--      12.696                 20.728                 10.907
 ROA1   Fr= 1--     -19.181                -69.881                 -9.349
 CID1   Fr= 1--      -1.511                 -3.371                 -0.857
 Raman2 Fr= 1--       4.490                  8.823                  4.654
 ROA2   Fr= 1--      -3.302                  1.480                 12.772
 CID2   Fr= 1--      -0.736                  0.168                  2.745
 Raman3 Fr= 1--       8.980                 17.645                  9.308
 ROA3   Fr= 1--     -19.181                -69.881                 -9.349
 CID3   Fr= 1--      -2.136                 -3.960                 -1.004
 RC180  Fr= 1--       0.415                  0.703                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04   0.04    -0.01   0.01   0.00     0.02   0.02  -0.00
     2   6    -0.03  -0.04   0.03    -0.03   0.05  -0.01     0.05  -0.08   0.03
     3   6     0.07   0.04   0.00     0.02  -0.02  -0.01    -0.06  -0.00   0.01
     4   6    -0.03  -0.02  -0.02     0.05   0.01  -0.02     0.06   0.04  -0.01
     5   8     0.00  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.01  -0.02
     6   6     0.00   0.02  -0.04     0.03  -0.03   0.06    -0.08   0.07  -0.05
     7   8    -0.01  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.20   0.49   0.08     0.08  -0.09  -0.01    -0.06  -0.02  -0.00
     9   8    -0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    10   1     0.10   0.18   0.04     0.24  -0.20  -0.01    -0.35   0.31   0.02
    11   1    -0.45  -0.33   0.02    -0.08   0.11  -0.01     0.18   0.08   0.00
    12   8    -0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.01  -0.00  -0.00
    13   6    -0.03   0.04  -0.01    -0.02   0.06  -0.00    -0.00   0.01   0.01
    14   1     0.09   0.14  -0.02    -0.31  -0.16  -0.03    -0.31  -0.28  -0.02
    15   8     0.00   0.01   0.02    -0.01  -0.01  -0.03     0.01   0.00   0.01
    16   1     0.02   0.06  -0.04    -0.18  -0.10   0.06     0.46  -0.25  -0.03
    17   1    -0.08   0.18   0.11     0.00  -0.01  -0.01    -0.01   0.02   0.02
    18   1     0.12  -0.02   0.06    -0.07   0.01  -0.04     0.11  -0.02   0.06
    19   1     0.03   0.04  -0.02     0.05   0.06  -0.04    -0.08  -0.11   0.06
    20   8    -0.01  -0.00   0.02    -0.03  -0.02   0.03    -0.02  -0.01   0.01
    21   1     0.32  -0.17  -0.01     0.44  -0.23  -0.01     0.17  -0.07   0.00
    22   1     0.10   0.01   0.07    -0.17   0.18   0.12    -0.22   0.14   0.04
    23   1    -0.07  -0.22   0.01     0.10   0.32  -0.02    -0.06  -0.20   0.01
    24   1     0.13  -0.09  -0.08     0.34  -0.26  -0.20     0.18  -0.14  -0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1418.0310              1429.9965              1432.6526
 Red. masses --      1.5647                 1.4603                 1.2582
 Frc consts  --      1.8538                 1.7594                 1.5215
 IR Inten    --      7.4739                42.1373                42.1955
 RamAct Fr= 1--      5.0170                 2.1714                 0.8091
  Dep-P Fr= 1--      0.7336                 0.6859                 0.7370
  Dep-U Fr= 1--      0.8463                 0.8137                 0.8486
 Alpha2 Fr= 1--      0.0014                 0.0024                 0.0002
 Beta2  Fr= 1--      0.7077                 0.2945                 0.1144
 AlphaG Fr= 1--     -0.0051                -0.0096                -0.0048
 Gamma2 Fr= 1--      0.7958                -0.9937                 0.0553
 Delta2 Fr= 1--      0.6828                 0.0307                 0.1308
 Raman1 Fr= 1--      20.068                  8.686                  3.236
 ROA1   Fr= 1--      98.249                -94.416                  9.491
 CID1   Fr= 1--       4.896                -10.870                  2.933
 Raman2 Fr= 1--       8.492                  3.534                  1.373
 ROA2   Fr= 1--      13.638                -24.095                  0.280
 CID2   Fr= 1--       1.606                 -6.818                  0.204
 Raman3 Fr= 1--      16.984                  7.068                  2.746
 ROA3   Fr= 1--      98.249                -94.416                  9.491
 CID3   Fr= 1--       5.785                -13.359                  3.456
 RC180  Fr= 1--       0.693                  0.627                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.08   0.02     0.09   0.06   0.01    -0.03   0.04   0.01
     2   6    -0.10  -0.08  -0.02    -0.03  -0.05  -0.00    -0.01   0.01  -0.02
     3   6    -0.09   0.04   0.00    -0.00  -0.10   0.00     0.02  -0.02  -0.00
     4   6     0.02  -0.02   0.01     0.02   0.02  -0.00     0.03   0.03  -0.00
     5   8    -0.00   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.01  -0.01
     6   6     0.04  -0.02   0.00     0.02   0.02   0.01    -0.02  -0.10  -0.04
     7   8    -0.01  -0.02  -0.01    -0.02  -0.02  -0.02     0.00   0.00   0.01
     8   1    -0.24  -0.31   0.00    -0.30  -0.08   0.01     0.15  -0.26  -0.02
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.01  -0.00   0.00
    10   1     0.50   0.26   0.03     0.14   0.13   0.02     0.07   0.02  -0.02
    11   1     0.22  -0.17   0.01     0.09   0.41  -0.02    -0.09   0.05  -0.00
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02    -0.01  -0.00   0.00
    13   6     0.06   0.00  -0.01    -0.10  -0.01   0.01    -0.03   0.00   0.00
    14   1     0.00   0.15   0.01    -0.09  -0.16   0.00    -0.13  -0.16  -0.01
    15   8    -0.00   0.01   0.00    -0.00  -0.00  -0.01     0.01   0.03   0.05
    16   1    -0.22   0.12  -0.01    -0.07  -0.10   0.01     0.16   0.78  -0.08
    17   1    -0.06   0.14   0.10    -0.10   0.23   0.13     0.02  -0.05  -0.03
    18   1     0.20  -0.03   0.11     0.09  -0.01   0.05     0.01  -0.00  -0.00
    19   1    -0.14  -0.18   0.11     0.14   0.19  -0.11     0.03   0.03  -0.02
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.00  -0.00   0.00
    21   1    -0.23   0.05  -0.01     0.28  -0.05   0.01     0.14  -0.03   0.00
    22   1    -0.23   0.15   0.01     0.38  -0.27  -0.04     0.03  -0.02   0.02
    23   1    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.13  -0.38   0.03
    24   1     0.13  -0.10  -0.07    -0.26   0.21   0.15     0.01  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1438.1514              1447.6124              1502.5198
 Red. masses --      1.4296                 1.7654                 1.0860
 Frc consts  --      1.7422                 2.1797                 1.4446
 IR Inten    --      9.7364                23.8135                 2.1214
 RamAct Fr= 1--      2.6581                 3.6648                 5.6923
  Dep-P Fr= 1--      0.1609                 0.7065                 0.7465
  Dep-U Fr= 1--      0.2773                 0.8280                 0.8549
 Alpha2 Fr= 1--      0.0400                 0.0028                 0.0003
 Beta2  Fr= 1--      0.1228                 0.5057                 0.8110
 AlphaG Fr= 1--      0.0030                 0.0000                 0.0014
 Gamma2 Fr= 1--      0.7968                 0.6305                 0.5066
 Delta2 Fr= 1--      0.6286                -0.2124                 0.6264
 Raman1 Fr= 1--      10.633                 14.659                 22.769
 ROA1   Fr= 1--      96.607                 53.729                 68.681
 CID1   Fr= 1--       9.086                  3.665                  3.016
 Raman2 Fr= 1--       1.474                  6.069                  9.732
 ROA2   Fr= 1--      14.094                 16.830                  7.147
 CID2   Fr= 1--       9.562                  2.773                  0.734
 Raman3 Fr= 1--       2.948                 12.138                 19.465
 ROA3   Fr= 1--      96.607                 53.729                 68.681
 CID3   Fr= 1--      32.771                  4.427                  3.528
 RC180  Fr= 1--      -0.445                  0.656                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.01    -0.07   0.07   0.01     0.00   0.00   0.00
     2   6    -0.01  -0.07  -0.00    -0.01  -0.10  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.08  -0.01     0.13  -0.08  -0.01     0.00  -0.00   0.00
     4   6     0.06  -0.06   0.00    -0.11   0.04  -0.01    -0.01  -0.00  -0.00
     5   8    -0.00   0.00   0.00     0.01  -0.01   0.01     0.00   0.00   0.00
     6   6     0.00   0.03   0.01    -0.00   0.04  -0.01    -0.00   0.00   0.00
     7   8     0.02   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
     8   1     0.40  -0.29  -0.03     0.26  -0.34  -0.03    -0.01  -0.00   0.00
     9   8    -0.01   0.02  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    10   1     0.10   0.21   0.02     0.09   0.31   0.03     0.00   0.00  -0.00
    11   1    -0.11  -0.34   0.01    -0.38   0.23  -0.00    -0.00   0.02  -0.00
    12   8     0.01  -0.01  -0.01    -0.04   0.00   0.02    -0.00   0.00   0.00
    13   6    -0.08   0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1    -0.21   0.18  -0.00     0.29  -0.09  -0.01     0.07   0.01  -0.00
    15   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    16   1    -0.05  -0.20   0.02    -0.04  -0.18  -0.00    -0.00  -0.01   0.00
    17   1     0.09  -0.23  -0.13     0.04  -0.09  -0.06    -0.00   0.00   0.00
    18   1     0.18  -0.02   0.09     0.23  -0.03   0.11     0.00  -0.00   0.00
    19   1    -0.11  -0.14   0.08     0.20   0.26  -0.15     0.01   0.01  -0.01
    20   8     0.02   0.01  -0.01    -0.01  -0.01   0.00     0.00  -0.01  -0.00
    21   1     0.24  -0.03   0.01    -0.18   0.01  -0.00     0.23   0.65  -0.01
    22   1     0.32  -0.19   0.02    -0.20   0.12  -0.03     0.01   0.19   0.69
    23   1     0.03   0.09  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.16   0.13   0.09     0.09  -0.08  -0.06    -0.01  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2973.5714              2980.3982              2986.5567
 Red. masses --      1.0815                 1.0794                 1.0734
 Frc consts  --      5.6340                 5.6490                 5.6408
 IR Inten    --      8.3396                 5.9712                26.5340
 RamAct Fr= 1--     63.1605                90.5232               243.5620
  Dep-P Fr= 1--      0.1572                 0.1689                 0.1266
  Dep-U Fr= 1--      0.2716                 0.2890                 0.2248
 Alpha2 Fr= 1--      0.9588                 1.3334                 3.9930
 Beta2  Fr= 1--      2.8593                 4.3598                 9.1254
 AlphaG Fr= 1--      0.1751                 0.0856                 0.5286
 Gamma2 Fr= 1--      1.0491                 8.0574                -9.7541
 Delta2 Fr= 1--     -0.5758                 7.8728               -11.1879
 Raman1 Fr= 1--     252.642                362.093                974.248
 ROA1   Fr= 1--      82.286               1025.439              -1294.404
 CID1   Fr= 1--       0.326                  2.832                 -1.329
 Raman2 Fr= 1--      34.312                 52.318                109.505
 ROA2   Fr= 1--      29.785                130.395               -144.594
 CID2   Fr= 1--       0.868                  2.492                 -1.320
 Raman3 Fr= 1--      68.624                104.636                219.011
 ROA3   Fr= 1--      82.286               1025.439              -1294.404
 CID3   Fr= 1--       1.199                  9.800                 -5.910
 RC180  Fr= 1--      -0.457                 -0.422                 -0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02     0.00  -0.00   0.04     0.00  -0.00   0.01
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.01
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00  -0.00  -0.02
     4   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.04
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01   0.01  -0.21    -0.02   0.03  -0.54    -0.00   0.01  -0.09
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.04  -0.04   0.91    -0.01  -0.01   0.13    -0.00  -0.00   0.08
    11   1    -0.01  -0.01  -0.29     0.02   0.02   0.77     0.00   0.01   0.23
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.01  -0.00  -0.06
    14   1    -0.00  -0.00   0.09    -0.00   0.00  -0.04     0.01  -0.00  -0.45
    15   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.00  -0.00  -0.13    -0.00   0.00   0.03    -0.00   0.00   0.02
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01     0.01   0.01  -0.30    -0.02  -0.03   0.84
    22   1     0.00   0.00  -0.00    -0.02  -0.04   0.02     0.05   0.11  -0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.6264              3010.0398              3022.0048
 Red. masses --      1.0835                 1.0838                 1.0861
 Frc consts  --      5.7247                 5.7858                 5.8441
 IR Inten    --      7.4154                48.7311                99.2492
 RamAct Fr= 1--      6.7339                 9.1435                69.9136
  Dep-P Fr= 1--      0.3458                 0.3595                 0.1737
  Dep-U Fr= 1--      0.5139                 0.5289                 0.2960
 Alpha2 Fr= 1--      0.0599                 0.0778                 1.0172
 Beta2  Fr= 1--      0.5768                 0.8060                 3.4486
 AlphaG Fr= 1--      0.0826                -0.2723                -0.6691
 Gamma2 Fr= 1--     -0.6733                -0.2373                -2.0289
 Delta2 Fr= 1--     -0.4591                 1.2068                 0.9575
 Raman1 Fr= 1--      26.935                 36.574                279.655
 ROA1   Fr= 1--     -79.332                 15.840               -164.131
 CID1   Fr= 1--      -2.945                  0.433                 -0.587
 Raman2 Fr= 1--       6.921                  9.672                 41.383
 ROA2   Fr= 1--     -12.488                -15.349                -56.353
 CID2   Fr= 1--      -1.804                 -1.587                 -1.362
 Raman3 Fr= 1--      13.842                 19.343                 82.766
 ROA3   Fr= 1--     -79.332                 15.840               -164.131
 CID3   Fr= 1--      -5.731                  0.819                 -1.983
 RC180  Fr= 1--       0.028                  0.058                 -0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.06    -0.00   0.00  -0.02    -0.00   0.00  -0.02
     2   6     0.00   0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.02
     3   6    -0.00  -0.00  -0.03    -0.00  -0.00  -0.03    -0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.03     0.00  -0.00  -0.06     0.00  -0.00  -0.02
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02    -0.00   0.00   0.03     0.00  -0.00  -0.07
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.02  -0.05   0.72     0.01  -0.01   0.22     0.01  -0.02   0.26
     9   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   1    -0.01  -0.02   0.29    -0.00  -0.00   0.03    -0.01  -0.01   0.21
    11   1     0.01   0.01   0.36     0.01   0.01   0.34     0.01   0.01   0.16
    12   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.02    -0.00  -0.01  -0.02    -0.00  -0.00  -0.01
    14   1     0.01   0.00  -0.39    -0.01   0.01   0.74    -0.01  -0.00   0.27
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.21     0.01  -0.01  -0.40    -0.01   0.03   0.88
    17   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1     0.00   0.01  -0.24    -0.00  -0.01   0.32     0.00  -0.00   0.08
    22   1    -0.02  -0.05   0.02     0.03   0.08  -0.03     0.01   0.03  -0.01
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.01
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3120.3401              3758.1687              3779.2006
 Red. masses --      1.0918                 1.0650                 1.0659
 Frc consts  --      6.2634                 8.8623                 8.9691
 IR Inten    --      9.5646                35.2836                62.6297
 RamAct Fr= 1--     77.9236                80.2125                56.2110
  Dep-P Fr= 1--      0.2872                 0.1541                 0.1959
  Dep-U Fr= 1--      0.4462                 0.2671                 0.3277
 Alpha2 Fr= 1--      0.8302                 1.2271                 0.7716
 Beta2  Fr= 1--      5.7947                 3.5704                 3.0697
 AlphaG Fr= 1--      0.4278                -0.2833                -0.3353
 Gamma2 Fr= 1--      2.6430                -3.0644                -2.7451
 Delta2 Fr= 1--      2.3578                -0.9291                 1.6192
 Raman1 Fr= 1--     311.695                320.850                224.844
 ROA1   Fr= 1--     329.178               -323.909               -211.717
 CID1   Fr= 1--       1.056                 -1.010                 -0.942
 Raman2 Fr= 1--      69.536                 42.845                 36.836
 ROA2   Fr= 1--      44.570                -66.112                -78.837
 CID2   Fr= 1--       0.641                 -1.543                 -2.140
 Raman3 Fr= 1--     139.073                 85.690                 73.673
 ROA3   Fr= 1--     329.178               -323.909               -211.717
 CID3   Fr= 1--       2.367                 -3.780                 -2.874
 RC180  Fr= 1--      -0.108                 -0.466                 -0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.04  -0.01
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   8    -0.00  -0.00   0.00    -0.01   0.00  -0.06    -0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.01   0.00   0.00     0.02   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.66   0.70   0.17
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    21   1    -0.01  -0.00  -0.15    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.14  -0.07   0.98     0.00  -0.00   0.00
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.09   0.18  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3780.0707              3781.5602              3791.8308
 Red. masses --      1.0655                 1.0659                 1.0660
 Frc consts  --      8.9706                 8.9803                 9.0302
 IR Inten    --     18.8509                50.4122                59.1578
 RamAct Fr= 1--     72.7479                91.3993               103.1346
  Dep-P Fr= 1--      0.1075                 0.2060                 0.1746
  Dep-U Fr= 1--      0.1941                 0.3416                 0.2973
 Alpha2 Fr= 1--      1.2505                 1.2217                 1.4970
 Beta2  Fr= 1--      2.3536                 5.2033                 5.1098
 AlphaG Fr= 1--      0.0305                -0.4651                 0.5279
 Gamma2 Fr= 1--      2.1328                 0.0282                 2.6680
 Delta2 Fr= 1--     -1.1876                 2.1523                -0.6596
 Raman1 Fr= 1--     290.992                365.597                412.538
 ROA1   Fr= 1--     166.744                 71.580                235.022
 CID1   Fr= 1--       0.573                  0.196                  0.570
 Raman2 Fr= 1--      28.244                 62.440                 61.318
 ROA2   Fr= 1--      60.687                -16.541                 69.309
 CID2   Fr= 1--       2.149                 -0.265                  1.130
 Raman3 Fr= 1--      56.488                124.880                122.635
 ROA3   Fr= 1--     166.744                 71.580                235.022
 CID3   Fr= 1--       2.952                  0.573                  1.916
 RC180  Fr= 1--      -0.612                 -0.317                 -0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.01  -0.02
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.02  -0.06   0.01    -0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.95   0.15   0.27
    18   1    -0.01  -0.03   0.01     0.29   0.94  -0.17     0.01   0.04  -0.01
    19   1     0.14  -0.15  -0.03    -0.01   0.01   0.00     0.01  -0.01  -0.00
    20   8    -0.03  -0.05   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.00   0.00   0.00     0.01  -0.00   0.05    -0.00   0.00  -0.00
    24   1     0.44   0.85  -0.17     0.02   0.03  -0.01     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1545.434132279.252613659.41250
           X            0.99995   0.00995   0.00294
           Y           -0.00994   0.99995  -0.00260
           Z           -0.00297   0.00257   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05605     0.03800     0.02367
 Rotational constants (GHZ):           1.16779     0.79181     0.49318
 Zero-point vibrational energy     516584.0 (Joules/Mol)
                                  123.46654 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.08   148.99   168.74   212.58   272.14
          (Kelvin)            336.83   349.18   394.88   434.16   465.14
                              495.13   542.27   563.95   567.10   591.80
                              595.80   610.45   644.05   708.30   826.29
                              865.47   912.17   921.28  1276.78  1433.95
                             1459.82  1470.66  1515.51  1538.68  1561.85
                             1574.38  1584.12  1597.80  1605.74  1642.89
                             1667.35  1728.12  1777.82  1782.39  1812.77
                             1840.56  1896.10  1900.06  1935.60  1955.37
                             1969.84  1993.68  2018.25  2040.23  2057.45
                             2061.27  2069.18  2082.79  2161.79  4278.31
                             4288.13  4296.99  4308.60  4330.78  4347.99
                             4489.47  5407.17  5437.43  5438.68  5440.82
                             5455.60
 
 Zero-point correction=                           0.196756 (Hartree/Particle)
 Thermal correction to Energy=                    0.209185
 Thermal correction to Enthalpy=                  0.210129
 Thermal correction to Gibbs Free Energy=         0.159089
 Sum of electronic and zero-point Energies=           -687.312796
 Sum of electronic and thermal Energies=              -687.300367
 Sum of electronic and thermal Enthalpies=            -687.299423
 Sum of electronic and thermal Free Energies=         -687.350464
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.266             47.610            107.424
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.934
 Vibrational            129.488             41.648             35.019
 Vibration     1          0.598              1.968              4.127
 Vibration     2          0.605              1.946              3.386
 Vibration     3          0.608              1.935              3.145
 Vibration     4          0.617              1.905              2.701
 Vibration     5          0.633              1.855              2.236
 Vibration     6          0.654              1.789              1.847
 Vibration     7          0.659              1.775              1.783
 Vibration     8          0.677              1.721              1.568
 Vibration     9          0.694              1.670              1.407
 Vibration    10          0.708              1.629              1.293
 Vibration    11          0.723              1.587              1.193
 Vibration    12          0.747              1.519              1.052
 Vibration    13          0.759              1.487              0.993
 Vibration    14          0.761              1.483              0.984
 Vibration    15          0.775              1.446              0.922
 Vibration    16          0.778              1.440              0.912
 Vibration    17          0.786              1.417              0.878
 Vibration    18          0.807              1.366              0.803
 Vibration    19          0.848              1.267              0.678
 Vibration    20          0.931              1.087              0.496
 Vibration    21          0.960              1.029              0.447
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.667206D-73        -73.175740       -168.493368
 Total V=0       0.211771D+18         17.325866         39.894282
 Vib (Bot)       0.546632D-87        -87.262305       -200.928882
 Vib (Bot)    1  0.290648D+01          0.463367          1.066942
 Vib (Bot)    2  0.198042D+01          0.296756          0.683306
 Vib (Bot)    3  0.174351D+01          0.241424          0.555899
 Vib (Bot)    4  0.137324D+01          0.137747          0.317175
 Vib (Bot)    5  0.105843D+01          0.024664          0.056791
 Vib (Bot)    6  0.839792D+00         -0.075828         -0.174601
 Vib (Bot)    7  0.806931D+00         -0.093164         -0.214517
 Vib (Bot)    8  0.702555D+00         -0.153319         -0.353031
 Vib (Bot)    9  0.629603D+00         -0.200933         -0.462665
 Vib (Bot)   10  0.580327D+00         -0.236327         -0.544164
 Vib (Bot)   11  0.538157D+00         -0.269091         -0.619604
 Vib (Bot)   12  0.480763D+00         -0.318069         -0.732380
 Vib (Bot)   13  0.457381D+00         -0.339722         -0.782238
 Vib (Bot)   14  0.454128D+00         -0.342822         -0.789377
 Vib (Bot)   15  0.429705D+00         -0.366830         -0.844657
 Vib (Bot)   16  0.425925D+00         -0.370667         -0.853492
 Vib (Bot)   17  0.412487D+00         -0.384590         -0.885550
 Vib (Bot)   18  0.383828D+00         -0.415864         -0.957562
 Vib (Bot)   19  0.336126D+00         -0.473498         -1.090270
 Vib (Bot)   20  0.266848D+00         -0.573737         -1.321078
 Vib (Bot)   21  0.247840D+00         -0.605828         -1.394972
 Vib (V=0)       0.173501D+04          3.239302          7.458768
 Vib (V=0)    1  0.344917D+01          0.537715          1.238134
 Vib (V=0)    2  0.254256D+01          0.405271          0.933171
 Vib (V=0)    3  0.231379D+01          0.364323          0.838885
 Vib (V=0)    4  0.196144D+01          0.292574          0.673677
 Vib (V=0)    5  0.167059D+01          0.222870          0.513178
 Vib (V=0)    6  0.147737D+01          0.169489          0.390263
 Vib (V=0)    7  0.144928D+01          0.161153          0.371069
 Vib (V=0)    8  0.136231D+01          0.134277          0.309184
 Vib (V=0)    9  0.130399D+01          0.115274          0.265429
 Vib (V=0)   10  0.126602D+01          0.102439          0.235874
 Vib (V=0)   11  0.123458D+01          0.091521          0.210734
 Vib (V=0)   12  0.119364D+01          0.076873          0.177006
 Vib (V=0)   13  0.117764D+01          0.071013          0.163513
 Vib (V=0)   14  0.117545D+01          0.070204          0.161651
 Vib (V=0)   15  0.115928D+01          0.064187          0.147797
 Vib (V=0)   16  0.115682D+01          0.063266          0.145674
 Vib (V=0)   17  0.114819D+01          0.060012          0.138184
 Vib (V=0)   18  0.113034D+01          0.053208          0.122515
 Vib (V=0)   19  0.110248D+01          0.042370          0.097561
 Vib (V=0)   20  0.106675D+01          0.028063          0.064618
 Vib (V=0)   21  0.105805D+01          0.024508          0.056432
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128521D+07          6.108973         14.066430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   1009999                                    544444433333322222111110000009   8    6665444443333332221111   
   98875                   2219887                                    043331086542176330541109865219   8    43079421199742074384107  
   22098                   0205704                                    388308369951890961926114693257   7    04242844142743243498741  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                    XX X                                       X XX  X  XX XX XXX XX X XXXXX   X       X  XXX XX X           
   XX XX                    XX                                           XX     XX X    X XX X XX  X   X       X   XX XX X           
   XX X                     XX                                           XX     X  X    X XX X XX  X   X           XX XX X           
   XX X                     XX                                                  X  X      XX X XX  X   X           XX XX X           
      X                     X                                                             XX X XX  X               XX XX X           
                            X                                                             XX X XX  X               XX XX             
                            X                                                             XX X XX                  XX X              
                            X                                                             XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          X  X X                   XX                
                                                                                          X  X X                   XX                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                                     
                                                                                               X                                     
                                                                                               X                                     
                                                                                               X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000034318    0.000027081    0.000004064
      2        6          -0.000073648   -0.000010459   -0.000002651
      3        6          -0.000003951   -0.000050902    0.000028554
      4        6           0.000027295    0.000121440   -0.000063058
      5        8          -0.000018520   -0.000095602    0.000036723
      6        6           0.000016462    0.000054415   -0.000047598
      7        8           0.000016675   -0.000022594   -0.000014792
      8        1           0.000008745   -0.000009037   -0.000001925
      9        8           0.000049273    0.000016119    0.000036243
     10        1           0.000011747   -0.000001146    0.000002335
     11        1          -0.000005358    0.000000746   -0.000007861
     12        8           0.000006893    0.000017989   -0.000015948
     13        6          -0.000010629   -0.000012041    0.000017827
     14        1          -0.000005964   -0.000008930    0.000016423
     15        8           0.000009879   -0.000039999    0.000018329
     16        1           0.000003888    0.000000493    0.000002631
     17        1           0.000002704    0.000010423    0.000001701
     18        1           0.000010242    0.000006990   -0.000014132
     19        1           0.000001208    0.000005093    0.000000751
     20        8           0.000006727   -0.000007469   -0.000012391
     21        1          -0.000007288    0.000004692   -0.000000277
     22        1          -0.000000287   -0.000003056    0.000001335
     23        1          -0.000012356   -0.000000903    0.000009061
     24        1           0.000000581   -0.000003343    0.000004656
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000121440 RMS     0.000028099
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110911D+03  0.141163D+01  0.338110D+00
      2   0.141163D+01  0.105469D+03 -0.473741D+00
      3   0.338110D+00 -0.473741D+00  0.853039D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.325194D+00 -0.398404D+01 -0.187345D+01
      2  -0.280030D+01  0.166379D+01  0.635822D+01
      3   0.117892D+02 -0.121343D+02 -0.309882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.284141D+02 -0.170107D+02 -0.979634D+01
      2  -0.251425D+02  0.187752D+02  0.443566D+01
      3  -0.327156D+01 -0.176452D+01  0.536067D+01
      4  -0.189002D+01 -0.101122D+02  0.100273D+01
      5  -0.266920D+01  0.180197D+01  0.105354D+02
      6  -0.386813D+01  0.758221D+01  0.156667D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.235582D+01 -0.228299D+01 -0.866917D+00 -0.267414D+01  0.244228D+01
      2  -0.228299D+01  0.301617D+01  0.214115D+00  0.244228D+01  0.165715D+00
      3  -0.866917D+00  0.214115D+00 -0.633868D+00  0.329076D+00 -0.888658D+00
                 6             7             8             9            10 
      1   0.329076D+00 -0.137866D+01  0.671214D+00 -0.149900D+00  0.327287D+01
      2  -0.888658D+00  0.671214D+00 -0.152661D+01 -0.541520D+00  0.178443D+01
      3   0.441110D+00 -0.149900D+00 -0.541520D+00  0.830064D+01  0.115848D+01
                11            12            13            14            15 
      1   0.178443D+01  0.115848D+01  0.168339D+01 -0.230424D+01 -0.248670D+00
      2  -0.139324D+01  0.775733D-02 -0.230424D+01 -0.127913D+01  0.465500D+00
      3   0.775733D-02 -0.143492D+01 -0.248670D+00  0.465500D+00  0.545860D+00
                16            17            18            19            20 
      1   0.233264D+01 -0.108271D+00 -0.600199D-01  0.195746D+01  0.219367D+01
      2  -0.108271D+00  0.531552D+00  0.444316D+00  0.219367D+01 -0.262888D+01
      3  -0.600199D-01  0.444316D+00 -0.856985D+01  0.741909D+00  0.179868D+00
                21            22            23            24            25 
      1   0.741909D+00  0.147995D+01 -0.327493D+01 -0.266549D-02  0.110197D+01
      2   0.179868D+00 -0.327493D+01 -0.168001D+01  0.952399D+00  0.438355D+00
      3   0.302120D+00 -0.266549D-02  0.952399D+00  0.973650D+00 -0.271015D+00
                26            27            28            29            30 
      1   0.438355D+00 -0.271015D+00 -0.203611D+01  0.356984D-01 -0.887018D+00
      2   0.206256D+01  0.467226D+00  0.356984D-01  0.293507D+01 -0.285744D+00
      3   0.467226D+00 -0.814709D+01 -0.887018D+00 -0.285744D+00 -0.369949D+00
                31            32            33            34            35 
      1   0.818369D+00  0.408423D+01  0.480386D+00 -0.145962D+01  0.148942D+00
      2   0.408423D+01  0.223329D+01 -0.924027D+00  0.148942D+00 -0.141501D+01
      3   0.480386D+00 -0.924027D+00 -0.643550D+00 -0.190661D+00  0.144094D+00
                36            37            38            39            40 
      1  -0.190661D+00  0.606277D+01 -0.211184D+00  0.703980D+00 -0.163002D+01
      2   0.144094D+00 -0.211184D+00 -0.808548D-01 -0.547830D+00 -0.708502D+00
      3   0.851497D+01  0.703980D+00 -0.547830D+00 -0.297763D+00 -0.274716D+00
                41            42            43            44            45 
      1  -0.708502D+00 -0.274716D+00  0.288804D+01  0.589268D+00  0.421423D+00
      2  -0.407741D+01  0.735011D+00  0.589268D+00  0.176095D+01 -0.474009D+00
      3   0.735011D+00  0.449335D+00  0.421423D+00 -0.474009D+00 -0.139808D+01
                46            47            48            49            50 
      1  -0.365575D+01 -0.296235D+01 -0.526085D+00 -0.107819D+01  0.189306D+01
      2  -0.296235D+01  0.824846D+00  0.814293D+00  0.189306D+01  0.119371D+01
      3  -0.526085D+00  0.814293D+00  0.478485D+00  0.339154D-01 -0.156458D+00
                51            52            53            54            55 
      1   0.339154D-01 -0.206846D+01  0.119800D+00  0.501795D-01  0.367723D+01
      2  -0.156458D+00  0.119800D+00 -0.104954D+01 -0.942116D-01  0.186328D+01
      3  -0.190083D+01  0.501795D-01 -0.942116D-01  0.846269D+01  0.139015D+01
                56            57            58            59            60 
      1   0.186328D+01  0.139015D+01  0.323028D+01 -0.276697D+01 -0.182442D+00
      2  -0.130595D+01 -0.617694D-01 -0.276697D+01  0.645933D+01  0.110544D+01
      3  -0.617694D-01  0.792761D+00 -0.182442D+00  0.110544D+01  0.876194D-01
                61            62            63            64            65 
      1   0.295458D+01 -0.115658D+01 -0.547648D+00  0.430181D+00  0.344531D+00
      2  -0.115658D+01  0.227290D+01  0.140957D+01  0.344531D+00 -0.577238D+00
      3  -0.547648D+00  0.140957D+01  0.257665D+00 -0.941633D+00  0.728229D-01
                66            67            68            69            70 
      1  -0.941633D+00  0.480619D+00 -0.481389D+00  0.861979D-01 -0.186480D+01
      2   0.728229D-01 -0.481389D+00  0.500201D-01 -0.103425D+01  0.185172D+00
      3  -0.432253D-01  0.861979D-01 -0.103425D+01  0.297867D+00 -0.370890D+00
                71            72            73            74            75 
      1   0.185172D+00 -0.370890D+00 -0.754859D+01 -0.281766D-02 -0.106383D+01
      2  -0.177138D+01  0.691093D+00 -0.281766D-02  0.759361D+00 -0.199489D+00
      3   0.691093D+00 -0.766448D+01 -0.106383D+01 -0.199489D+00  0.584967D+00
                76            77            78            79            80 
      1   0.321594D+01  0.109411D+01  0.198668D+00 -0.295362D+01 -0.643164D+00
      2   0.109411D+01  0.453327D+01 -0.917339D+00 -0.643164D+00 -0.137176D+01
      3   0.198668D+00 -0.917339D+00  0.873786D+00 -0.134483D+01 -0.271883D-01
                81            82            83            84            85 
      1  -0.134483D+01 -0.625163D+00 -0.309684D+00  0.102359D+01 -0.396809D+00
      2  -0.271883D-01 -0.309684D+00  0.403300D+00  0.105172D-01  0.362416D+00
      3  -0.256275D+00  0.102359D+01  0.105172D-01  0.230885D-01  0.307481D-01
                86            87            88            89            90 
      1   0.362416D+00  0.307481D-01  0.184462D+01  0.197384D+00 -0.505428D+00
      2   0.965750D-01  0.108778D+01  0.197384D+00  0.174025D+01 -0.496458D+00
      3   0.108778D+01 -0.549647D+00 -0.505428D+00 -0.496458D+00  0.785424D+01
                91            92            93            94            95 
      1  -0.125474D+00 -0.440913D+00  0.970523D+00 -0.310296D+00  0.566109D+00
      2  -0.440913D+00  0.498382D+00  0.578925D-01  0.566109D+00  0.426344D+00
      3   0.970523D+00  0.578925D-01  0.247593D-01  0.913827D-01  0.104713D+01
                96            97            98            99           100 
      1   0.913827D-01  0.183932D+01 -0.653760D-01  0.337095D+00  0.407400D+01
      2   0.104713D+01 -0.653760D-01  0.183022D+01  0.384374D+00  0.509150D+00
      3   0.527797D-01  0.337095D+00  0.384374D+00  0.773673D+01 -0.923947D+00
               101           102           103           104           105 
      1   0.509150D+00 -0.923947D+00 -0.305673D+00  0.400523D+01  0.805462D-01
      2   0.573856D+01 -0.833579D-01  0.400523D+01  0.222542D+01 -0.868336D+00
      3  -0.833579D-01  0.436433D+00  0.805462D-01 -0.868336D+00 -0.727428D+00
               106           107           108           109           110 
      1  -0.120078D+01 -0.288117D+00  0.885552D+00  0.257815D+01  0.190144D+00
      2  -0.288117D+00 -0.259444D+01  0.105194D+01  0.190144D+00 -0.236399D+01
      3   0.885552D+00  0.105194D+01 -0.130275D+00  0.160375D+01  0.349764D+00
               111           112           113           114           115 
      1   0.160375D+01  0.475097D+00 -0.413085D+01  0.492448D-01  0.219038D+01
      2   0.349764D+00 -0.413085D+01 -0.290641D+01  0.120134D+01 -0.201953D+00
      3   0.111045D+01  0.492448D-01  0.120134D+01 -0.690674D+00 -0.689396D+00
               116           117           118           119           120 
      1  -0.201953D+00 -0.689396D+00  0.105639D+01  0.218988D+00 -0.104511D+01
      2   0.148607D+01 -0.143649D+01  0.218988D+00 -0.329188D+00  0.501310D-01
      3  -0.143649D+01 -0.769183D+01 -0.104511D+01  0.501310D-01  0.650009D+00
               121           122           123           124           125 
      1   0.166776D+00 -0.418022D+00 -0.272753D+00 -0.214680D+01 -0.200212D+00
      2  -0.418022D+00 -0.139458D-01 -0.101489D+01 -0.200212D+00 -0.160641D+01
      3  -0.272753D+00 -0.101489D+01  0.122062D+00  0.985881D+00  0.179884D+00
               126           127           128           129           130 
      1   0.985881D+00 -0.106894D+01 -0.142544D+01  0.174883D+00 -0.175908D+01
      2   0.179884D+00 -0.142544D+01 -0.127520D+01  0.201071D+00 -0.148897D+01
      3  -0.767642D+01  0.174883D+00  0.201071D+00 -0.367004D+00 -0.994362D-01
               131           132           133           134           135 
      1  -0.148897D+01 -0.994362D-01 -0.173806D+00 -0.170042D+00 -0.197748D+00
      2  -0.841826D+01 -0.442802D+00 -0.170042D+00 -0.222710D+01  0.106369D+01
      3  -0.442802D+00  0.107131D+01 -0.197748D+00  0.106369D+01 -0.571226D+01
               136           137           138           139           140 
      1   0.162758D+00  0.105879D+00 -0.115284D+01  0.110744D+00 -0.437570D+00
      2   0.105879D+00 -0.263856D+00 -0.189125D+00 -0.437570D+00 -0.100212D+01
      3  -0.115284D+01 -0.189125D+00 -0.193391D+00  0.171395D-01 -0.994290D+00
               141           142           143           144           145 
      1   0.171395D-01 -0.180329D+01 -0.486454D+00 -0.430315D+00 -0.908619D+01
      2  -0.994290D+00 -0.486454D+00 -0.189071D+01 -0.147165D+01  0.185009D+01
      3  -0.338979D+00 -0.430315D+00 -0.147165D+01 -0.792087D+01 -0.530999D+00
               146           147           148           149           150 
      1   0.185009D+01 -0.530999D+00 -0.248377D-01 -0.693377D+00  0.735641D-02
      2  -0.207722D+01 -0.905789D-01 -0.693377D+00  0.315442D+00 -0.229933D+00
      3  -0.905789D-01 -0.125366D+01  0.735641D-02 -0.229933D+00  0.191203D+00
               151           152           153           154           155 
      1  -0.162826D+01  0.299911D+00 -0.103789D+01 -0.287175D+01 -0.204430D+01
      2   0.299911D+00 -0.566569D+00  0.361744D+00 -0.204430D+01 -0.233256D+01
      3  -0.103789D+01  0.361744D+00 -0.111276D+00  0.131518D+00  0.265785D-01
               156           157           158           159           160 
      1   0.131518D+00 -0.449090D+01 -0.327745D+01 -0.184967D+00  0.721089D+00
      2   0.265785D-01 -0.327745D+01 -0.590452D+01  0.228087D+00  0.339331D+00
      3  -0.672236D+00 -0.184967D+00  0.228087D+00 -0.100260D+01 -0.784763D+00
               161           162           163           164           165 
      1   0.339331D+00 -0.784763D+00 -0.205447D+01  0.146151D+01  0.236355D+00
      2   0.697635D+00 -0.661449D+00  0.146151D+01 -0.392432D+01  0.545949D-01
      3  -0.661449D+00 -0.345589D-01  0.236355D+00  0.545949D-01 -0.444995D+00
               166           167           168           169           170 
      1   0.184253D+01 -0.145962D+01 -0.113460D+00  0.388002D+00 -0.161795D+00
      2  -0.145962D+01  0.715341D+01  0.140017D+00 -0.161795D+00  0.826711D+00
      3  -0.113460D+00  0.140017D+00  0.108643D+01 -0.174628D+00  0.926564D+00
               171           172           173           174           175 
      1  -0.174628D+00  0.766212D+01 -0.228758D+01 -0.134585D+01 -0.922146D+00
      2   0.926564D+00 -0.228758D+01  0.333640D+01 -0.375747D-01  0.339955D+01
      3  -0.904214D-01 -0.134585D+01 -0.375747D-01  0.362712D+00 -0.823594D-02
               176           177           178           179           180 
      1   0.339955D+01 -0.823594D-02 -0.234625D+01  0.688120D+00  0.171737D+01
      2   0.193754D+01 -0.695962D+00  0.688120D+00 -0.145480D+01 -0.563223D+00
      3  -0.695962D+00  0.827407D+00  0.171737D+01 -0.563223D+00 -0.603634D+00
               181           182           183           184           185 
      1  -0.329282D+00  0.326621D+00  0.110022D+01 -0.270111D+00  0.734179D+00
      2   0.326621D+00  0.238355D+00 -0.115075D+00  0.734179D+00  0.471756D+00
      3   0.110022D+01 -0.115075D+00 -0.252338D+00 -0.285422D-01  0.102249D+01
               186           187           188           189           190 
      1  -0.285422D-01  0.237509D+01 -0.206026D+00  0.134003D+01  0.269937D+01
      2   0.102249D+01 -0.206026D+00  0.152076D+01  0.118317D+01  0.207676D+01
      3  -0.183057D-01  0.134003D+01  0.118317D+01  0.853615D+01 -0.696378D+00
               191           192           193           194           195 
      1   0.207676D+01 -0.696378D+00  0.331052D+01  0.272092D+01 -0.206886D+00
      2   0.216083D+01 -0.200783D+00  0.272092D+01  0.558705D+01 -0.810716D+00
      3  -0.200783D+00  0.601002D+00 -0.206886D+00 -0.810716D+00  0.900993D+00
               196           197           198           199           200 
      1  -0.158546D+01 -0.376380D+00  0.913771D+00 -0.177047D+00 -0.478052D+00
      2  -0.376380D+00 -0.150514D+01  0.106365D+01 -0.478052D+00  0.258023D+00
      3   0.913771D+00  0.106365D+01 -0.167186D+00  0.517529D+00 -0.243041D+00
               201           202           203           204           205 
      1   0.517529D+00 -0.384301D+00 -0.124304D-01  0.229263D-01  0.142471D+01
      2  -0.243041D+00 -0.124304D-01 -0.140531D+01  0.807040D+00  0.352131D+00
      3   0.613479D+00  0.229263D-01  0.807040D+00 -0.822199D+00 -0.119308D+00
               206           207           208           209           210 
      1   0.352131D+00 -0.119308D+00 -0.169871D+01 -0.515431D+00  0.227721D+00
      2   0.344397D+01 -0.288227D+01 -0.515431D+00 -0.161678D+01  0.149638D-01
      3  -0.288227D+01  0.646621D+01  0.227721D+00  0.149638D-01 -0.169172D-01
               211           212           213           214           215 
      1  -0.256770D+01  0.152238D+00  0.195188D+00  0.549372D+00  0.347448D-01
      2   0.152238D+00 -0.616175D+01  0.185422D+00  0.347448D-01  0.805872D+00
      3   0.195188D+00  0.185422D+00 -0.122720D+01  0.223141D+00 -0.722854D+00
               216 
      1   0.223141D+00
      2  -0.722854D+00
      3   0.452013D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111655D+01  0.123594D+00 -0.104042D+01 -0.152036D+01  0.672446D+00
      2   0.138397D+01 -0.314998D+00  0.476783D+00 -0.309785D+00  0.214322D+01
      3  -0.329901D+01 -0.209467D+01 -0.933150D+00  0.316107D+01  0.148990D+01
                 6             7             8             9            10 
      1  -0.356355D+00  0.197697D-01  0.407717D+01 -0.718298D+01  0.642210D+00
      2   0.700932D+00 -0.290109D+01  0.372795D+00 -0.823796D+01 -0.177068D+01
      3  -0.234265D+00  0.106770D+00 -0.126608D+01 -0.785480D+00  0.787058D+00
                11            12            13            14            15 
      1  -0.675589D+00 -0.308567D+00  0.443105D+00 -0.163664D+01 -0.106414D+01
      2  -0.115933D+01  0.119272D+01  0.745948D-01 -0.231792D+01 -0.178020D+01
      3  -0.534613D+01 -0.757658D+00  0.436997D+00 -0.314872D+00  0.184118D+01
                16            17            18            19            20 
      1  -0.714620D+00  0.225830D+01 -0.412184D+01 -0.828362D+00 -0.286419D+00
      2  -0.337919D+01 -0.129822D+01  0.108050D+02 -0.120609D+01  0.324966D+00
      3  -0.117599D+01  0.112118D+01  0.766237D+00  0.158146D+01  0.635355D+00
                21            22            23            24            25 
      1   0.841109D+00 -0.447062D+00 -0.165832D+01 -0.204431D+00  0.142024D+01
      2   0.143525D+01 -0.903507D+00  0.289307D+00 -0.429269D+00 -0.352512D+01
      3   0.118417D+01  0.597063D+01 -0.426876D+01 -0.107988D+01  0.120061D+01
                26            27            28            29            30 
      1   0.276248D+01  0.868490D+01  0.837424D+00 -0.357981D+00  0.155726D+01
      2  -0.216109D+00 -0.171656D+01 -0.177864D+01 -0.548022D+00 -0.102963D+00
      3   0.295415D+00 -0.907222D+00 -0.596440D+01 -0.875263D+01 -0.494770D+00
                31            32            33            34            35 
      1  -0.112544D+01  0.981244D+00  0.173705D+01  0.168814D+01  0.314083D+01
      2  -0.684877D+00 -0.145867D+01 -0.191166D+01 -0.491718D+01  0.198973D+01
      3  -0.619533D+01 -0.277854D+01  0.207855D+01 -0.450573D+00  0.124871D+01
                36            37            38            39            40 
      1  -0.368788D+01  0.976092D+00  0.458738D+00 -0.299921D+01  0.914277D+00
      2   0.147682D+02  0.712751D+00  0.336626D+00  0.837073D+01  0.165001D+00
      3  -0.330559D+00 -0.871610D+01 -0.705782D+01 -0.865298D+00  0.116462D+02
                41            42            43            44            45 
      1   0.728458D+00 -0.601742D+01  0.253648D+01  0.453479D+01 -0.269195D+00
      2   0.116898D+01  0.214315D+01 -0.520179D+01 -0.261034D+01  0.681647D+00
      3   0.526861D+01 -0.895099D+00 -0.359835D+01 -0.226179D+01 -0.237828D+00
                46            47            48            49            50 
      1  -0.482642D+00 -0.362604D-01  0.214085D+01 -0.506717D+00 -0.827852D+00
      2   0.123839D+01  0.223509D+00 -0.487129D+01 -0.680419D+00  0.143605D+01
      3   0.318858D+01  0.517938D+01  0.100573D+01  0.287268D+01  0.142843D+01
                51            52            53            54            55 
      1  -0.113884D+01 -0.154491D+01  0.269902D+01  0.128520D+02 -0.305794D+01
      2  -0.347733D-01 -0.432664D+01 -0.147903D+01 -0.889237D+01 -0.642634D+01
      3  -0.136621D+01  0.292502D+01 -0.133236D+01 -0.113832D+00  0.152555D+02
                56            57            58            59            60 
      1   0.530300D-01  0.519031D+00  0.138496D+01 -0.200293D+01 -0.533943D+01
      2   0.177653D+01  0.155166D+01  0.295867D+00 -0.192297D+01 -0.252556D+01
      3  -0.178566D+01  0.252009D+01  0.810046D+01  0.894994D+01  0.106995D+01
                61            62            63            64            65 
      1   0.351098D+00  0.104552D+01 -0.216904D+01  0.762836D+00 -0.139616D+00
      2  -0.413112D+01 -0.153511D+01 -0.219731D+01  0.164395D+01 -0.331289D+00
      3   0.540177D+01  0.349248D+01  0.153538D+01  0.821429D+00 -0.125303D+01
                66            67            68            69            70 
      1  -0.527603D+00 -0.211974D+00  0.144261D+01 -0.716143D+00 -0.118420D+00
      2   0.782861D+00 -0.137470D+00  0.854779D+00  0.288767D+00 -0.384593D+01
      3  -0.698547D+00  0.104655D+01 -0.424974D+00 -0.945453D+00 -0.201379D+01
                71            72            73            74            75 
      1   0.367182D+01  0.740573D+01 -0.162062D+01 -0.687532D+00 -0.247192D+00
      2  -0.356759D+00  0.854656D+01  0.351629D+01  0.185188D+01  0.585913D+01
      3  -0.190869D+01  0.598824D+00  0.750309D+01 -0.339299D+01  0.275402D+00
                76            77            78            79            80 
      1  -0.243632D+01 -0.280018D+01 -0.933719D+00  0.572376D+00  0.409619D+01
      2   0.906103D+00  0.343476D+01 -0.204439D+01 -0.203615D+00 -0.547561D+00
      3   0.455906D+01  0.191947D+02 -0.220709D+01  0.128965D+01 -0.515412D+01
                81            82            83            84            85 
      1  -0.747553D+00  0.405799D+00  0.390539D+00  0.515123D+00  0.650683D+00
      2   0.253515D+01 -0.205176D+01 -0.470212D-01  0.303773D+00  0.248223D+00
      3   0.796395D+00 -0.880070D-01 -0.237192D+00 -0.289412D+00  0.166861D+01
                86            87            88            89            90 
      1   0.728005D+00 -0.164788D+01  0.127969D+00  0.417248D+01  0.277367D+01
      2  -0.167926D+01  0.337080D+00 -0.346713D+01  0.576378D+00 -0.119315D+02
      3   0.315582D+00  0.120294D+01 -0.618733D+00  0.284299D+01 -0.874427D-01
                91            92            93            94            95 
      1  -0.164228D+01  0.529809D-01  0.249600D+00 -0.210327D+00 -0.150301D+01
      2   0.257681D+00  0.771666D+00  0.657103D+00  0.676499D+00  0.270248D+00
      3   0.112677D+00 -0.165842D+01  0.111866D+01  0.462431D+00  0.421661D+00
                96            97            98            99           100 
      1  -0.399087D+00 -0.498563D+00  0.367650D+01 -0.951535D+01  0.236145D+01
      2  -0.363538D+00 -0.470819D+01  0.144750D+00  0.176126D+01  0.235782D+00
      3  -0.160723D+00  0.253608D+01 -0.881468D+00  0.299132D+00  0.141017D+02
               101           102           103           104           105 
      1  -0.992638D+00 -0.337123D+01 -0.600195D+00  0.453322D+01 -0.397135D+01
      2  -0.149973D+01  0.317011D+01  0.487133D+00  0.516674D+00  0.156720D+01
      3  -0.107730D+02 -0.179638D+01 -0.947299D+00  0.921905D+01  0.116266D+01
               106           107           108           109           110 
      1  -0.247098D+01  0.211665D+01  0.216550D+01 -0.180884D+01 -0.116094D+01
      2  -0.218950D+01  0.111071D+01 -0.523187D+00  0.366838D+01  0.134898D+01
      3  -0.441801D+01  0.142566D+01  0.122876D+01  0.361949D+01  0.605217D+01
               111           112           113           114           115 
      1  -0.237751D+01 -0.250197D+01 -0.328830D+01  0.495242D+00  0.739036D-02
      2   0.233932D+01  0.177010D+01  0.473292D+01 -0.103917D+00 -0.669645D+01
      3  -0.573909D+00  0.153546D+02  0.516386D+01 -0.349616D+01  0.963966D+00
               116           117           118           119           120 
      1   0.227004D+01  0.516294D+01  0.310298D+00  0.475628D+00  0.356381D+00
      2  -0.374392D+01 -0.203480D+02 -0.119072D+01  0.239036D+00  0.181835D+01
      3  -0.481608D+01  0.387207D+01 -0.979863D-01  0.328085D+00 -0.447204D+00
               121           122           123           124           125 
      1   0.214756D+00  0.505052D-01 -0.613401D+00 -0.463928D-01  0.391474D+01
      2  -0.419808D+00 -0.167172D+01  0.136629D+00 -0.355660D+01 -0.414274D-01
      3   0.261417D+01 -0.704841D+00  0.153362D+01 -0.232165D+00  0.290798D+01
               126           127           128           129           130 
      1   0.244481D+01  0.280006D-02  0.238921D-01 -0.192478D+01  0.808482D-01
      2  -0.113606D+02  0.146811D+00 -0.171173D+01  0.496282D+01  0.501162D+00
      3  -0.103321D+01  0.285364D+01 -0.198278D+01  0.840549D+00  0.986850D+01
               131           132           133           134           135 
      1  -0.266987D+00 -0.405624D+01  0.261050D+00  0.633509D+01 -0.179829D+02
      2   0.132890D+00  0.567844D-03  0.136834D+00 -0.906305D+00  0.494632D+01
      3  -0.443002D+01 -0.263571D-01  0.474874D+00 -0.604299D+00  0.195641D+01
               136           137           138           139           140 
      1  -0.211033D+01 -0.169179D+00 -0.515313D+00  0.313325D+00 -0.121673D+01
      2   0.919857D+00  0.250770D+00  0.856989D+00  0.693457D+00  0.687262D+00
      3  -0.520718D-01 -0.173591D+01  0.200820D+01  0.258794D+00  0.312078D+00
               141           142           143           144           145 
      1  -0.100024D+01 -0.936240D-01  0.258378D+01 -0.118086D+02  0.177955D+01
      2   0.770860D-01 -0.402304D+01  0.795046D+00  0.694185D+01  0.514621D+01
      3  -0.560327D+00  0.336223D+01 -0.475406D+00  0.546864D+00 -0.188530D+02
               146           147           148           149           150 
      1   0.521524D-01  0.251139D+01  0.351142D-01  0.595002D+00 -0.109693D+00
      2  -0.515623D+00  0.444657D+01  0.150654D+00  0.529482D+00 -0.166382D+00
      3  -0.328485D+01 -0.191214D+01 -0.186121D+01 -0.259812D+01 -0.685298D+00
               151           152           153           154           155 
      1   0.193863D+01  0.266981D+00  0.240676D+00  0.987640D+00  0.109115D+01
      2   0.230774D+01 -0.855653D+00  0.741684D+00 -0.936305D+00 -0.777099D+00
      3  -0.402914D+01 -0.128318D+01 -0.131973D+01 -0.473600D+01 -0.601744D+01
               156           157           158           159           160 
      1  -0.109051D+01  0.167685D+01  0.280141D+01 -0.216827D+01 -0.111261D+01
      2   0.200072D+01 -0.915356D+00 -0.229257D+01  0.363169D+01  0.965914D+00
      3  -0.982470D-01 -0.444990D+01 -0.201395D+02  0.123689D+01 -0.586098D-01
               161           162           163           164           165 
      1  -0.587155D-01  0.393828D+00 -0.146797D+01  0.128606D+01  0.219066D+01
      2   0.199742D+01  0.101560D+00 -0.309599D+00  0.709186D+00 -0.874785D-01
      3   0.284307D+01 -0.105847D+01 -0.110848D+02  0.783208D+01  0.111741D+01
               166           167           168           169           170 
      1   0.119148D+01 -0.223186D+01 -0.381095D+01  0.729669D+00 -0.170675D+01
      2   0.388211D+00 -0.946283D+00 -0.173293D+00 -0.107143D+01  0.127448D+00
      3   0.904366D+01 -0.113007D+02 -0.609997D+00  0.217561D+01 -0.134293D+01
               171           172           173           174           175 
      1  -0.403155D-01 -0.413074D+00 -0.566436D+00  0.337179D+01  0.354689D+00
      2  -0.272272D+00 -0.445402D+01  0.107016D+01  0.665197D+01 -0.123312D+01
      3  -0.100036D+01  0.137888D+01 -0.188942D+02 -0.638074D-01 -0.106044D+02
               176           177           178           179           180 
      1  -0.250558D+01 -0.332945D+01 -0.789396D-01  0.425778D+01 -0.198982D+01
      2  -0.238072D+01 -0.334612D+00  0.249419D+01 -0.179449D+01 -0.296758D+01
      3  -0.985851D+01  0.262571D+01  0.199292D+00  0.585632D+01  0.151118D+01
               181           182           183           184           185 
      1  -0.278076D+00 -0.118050D+00 -0.578988D-01  0.278166D+00 -0.194591D+00
      2   0.411072D+01 -0.839858D+00 -0.429381D+00 -0.258397D+00  0.270757D+01
      3  -0.132786D+01 -0.113853D+01  0.779579D+00 -0.958483D+00 -0.946934D+00
               186           187           188           189           190 
      1  -0.303572D-01 -0.102985D+01  0.350331D+01 -0.401554D+01  0.144769D+01
      2   0.711562D-03 -0.144734D+01  0.380954D+01  0.233076D+02 -0.251835D+01
      3  -0.253393D+01  0.169641D+01 -0.439236D+01 -0.313475D+01 -0.425179D+01
               191           192           193           194           195 
      1   0.804749D+00 -0.127230D+01  0.112703D+01  0.229737D+01 -0.254922D+01
      2  -0.105825D+01  0.273795D+01 -0.113866D+01 -0.338263D+01  0.344108D+01
      3  -0.612076D+01  0.233564D+00 -0.343906D+01 -0.166584D+02  0.249825D+01
               196           197           198           199           200 
      1  -0.943560D+00 -0.150842D+00  0.477082D+00  0.162426D+01 -0.382729D+00
      2   0.175789D+01  0.318808D+01 -0.784933D+00 -0.117696D+01 -0.248888D+00
      3  -0.326696D+00  0.476066D+01 -0.259737D+01 -0.662997D+00  0.579369D+00
               201           202           203           204           205 
      1   0.210618D+01  0.919716D-01  0.303034D+01 -0.268609D+01 -0.385735D+00
      2  -0.682702D+00 -0.628986D+00 -0.115099D+01  0.965919D+00 -0.263735D+01
      3  -0.149939D+01  0.997545D+00 -0.122731D+01  0.728452D+00 -0.400635D+01
               206           207           208           209           210 
      1  -0.624035D+01  0.204153D+02  0.455538D+00  0.760855D+00 -0.626837D+00
      2   0.268836D+01 -0.592160D+01  0.100859D+01 -0.883247D-01 -0.789270D+00
      3   0.214060D+01 -0.267228D+01  0.722678D+01  0.818554D+01 -0.416497D+00
               211           212           213           214           215 
      1   0.633177D+00  0.250923D+01 -0.274130D+01  0.890564D-01 -0.492740D+00
      2   0.953383D+00  0.299591D+00 -0.342323D+01 -0.891497D+00 -0.212005D+01
      3   0.585137D+01  0.245925D+02 -0.100727D+01 -0.140387D+01 -0.321631D+01
               216 
      1   0.277658D+00
      2  -0.152985D+00
      3   0.216729D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.657587D+01 -0.174303D+01  0.182816D+00  0.592689D+01 -0.102641D+01
      2  -0.606436D+01  0.971149D+01 -0.103264D+01  0.101340D+01 -0.529642D+01
      3  -0.511514D+00 -0.796846D+01  0.849823D+00 -0.694028D+01  0.632283D+01
      4   0.648954D+01 -0.116786D+02 -0.112612D+01 -0.157012D+02  0.815288D+01
      5   0.293802D+01 -0.164683D+01 -0.209829D+01 -0.348544D+01  0.127126D+01
      6  -0.884337D+00  0.262123D+01  0.301052D+01  0.288256D+01 -0.306119D+01
                 6             7             8             9            10 
      1   0.408109D+00  0.367816D+01  0.853897D+00  0.710134D+01 -0.186525D+02
      2   0.164625D+00  0.822167D+00 -0.556269D+01  0.499049D+01  0.940944D+01
      3  -0.572735D+00 -0.450033D+01  0.470880D+01 -0.120918D+02  0.924308D+01
      4   0.196445D+01 -0.411309D+01  0.705114D+01  0.972969D+00 -0.643188D+01
      5   0.248613D+01  0.127582D+01  0.201244D+01 -0.194923D+02 -0.616369D+01
      6  -0.428789D+01  0.938990D+00 -0.247635D+00  0.172558D+02 -0.837972D+00
                11            12            13            14            15 
      1  -0.684927D+01 -0.106341D+01 -0.905081D+01  0.678881D+01  0.117314D+01
      2   0.309358D+01  0.359798D+01  0.584002D+01 -0.257653D+01 -0.641046D+00
      3   0.375569D+01 -0.253458D+01  0.321079D+01 -0.421228D+01 -0.532092D+00
      4  -0.286598D+01 -0.494823D+00  0.661996D+01  0.262741D+01 -0.483700D+00
      5  -0.111573D+01 -0.179900D+01  0.118052D+00  0.147226D+00 -0.417131D+01
      6  -0.204655D+01  0.428909D+00 -0.627916D+00 -0.727768D+00 -0.130462D+00
                16            17            18            19            20 
      1  -0.114765D+02 -0.235484D+01  0.851109D+01 -0.858295D+01  0.763514D+01
      2   0.582432D+01 -0.232924D+00  0.506617D+01  0.625939D+01 -0.123356D+02
      3   0.565218D+01  0.258776D+01 -0.135773D+02  0.232355D+01  0.470044D+01
      4  -0.130976D+01 -0.123342D+01 -0.136207D+01  0.188498D+01 -0.274139D+01
      5   0.326874D+00 -0.192375D+01  0.273499D+02  0.189124D+01  0.127348D+01
      6   0.147034D+00 -0.340659D+00  0.110243D+02  0.646785D+00  0.165961D+01
                21            22            23            24            25 
      1  -0.835686D+00  0.403384D+01  0.424691D+01 -0.287005D+01 -0.150836D+01
      2  -0.103538D+01 -0.919135D+01 -0.992545D+01  0.348469D+00  0.369690D+01
      3   0.187107D+01  0.515752D+01  0.567854D+01  0.252158D+01 -0.218854D+01
      4   0.889907D+00 -0.480975D+01 -0.980134D+01 -0.318675D+00  0.291693D+01
      5  -0.995288D+00  0.170512D+01  0.105192D+01 -0.101468D+01  0.495774D+00
      6  -0.173903D+01 -0.194605D+00  0.402662D+01 -0.350240D+01 -0.140234D+01
                26            27            28            29            30 
      1  -0.354073D+01  0.471290D+01 -0.982811D+01 -0.901350D+00 -0.318093D+01
      2   0.785192D+01  0.904868D+01  0.356697D+01  0.347649D+00  0.193486D+01
      3  -0.431119D+01 -0.137616D+02  0.626114D+01  0.553702D+00  0.124608D+01
      4   0.279666D+01 -0.238642D+00 -0.583985D+01 -0.751226D+00 -0.175140D+01
      5   0.229904D-01 -0.451333D+01 -0.479809D+01 -0.968780D+00 -0.413189D+01
      6   0.206044D+01 -0.214754D+02 -0.234439D+01 -0.855593D-01 -0.250720D+01
                31            32            33            34            35 
      1   0.142943D+01  0.142743D+02 -0.143284D+00 -0.319657D+01  0.251902D+00
      2  -0.487570D-01 -0.147348D+02 -0.177569D+01 -0.437044D+00 -0.218456D+01
      3  -0.138068D+01  0.460488D+00  0.191897D+01  0.363362D+01  0.193266D+01
      4  -0.478197D+01  0.227439D+00 -0.181515D+01  0.106826D+01 -0.802712D+00
      5   0.185625D+01 -0.132265D+01 -0.531948D+01 -0.174432D+01  0.748979D+00
      6   0.655572D-02  0.135802D+01 -0.486122D+01 -0.144875D+01  0.455862D+00
                36            37            38            39            40 
      1   0.576692D+01  0.163033D+02 -0.328632D+01 -0.735830D+00 -0.996916D+00
      2   0.630492D+01 -0.109308D+02  0.297335D+01 -0.133196D+01  0.469059D+00
      3  -0.120718D+02 -0.537243D+01  0.312973D+00  0.206779D+01  0.527857D+00
      4   0.127862D+01 -0.796080D+01  0.105884D+02 -0.146270D+01  0.116671D+02
      5   0.267183D+02  0.194412D+01 -0.207809D+00  0.131285D+02 -0.145623D+01
      6   0.389403D+01 -0.627966D+00  0.198926D+01  0.610312D+01 -0.492825D-01
                41            42            43            44            45 
      1  -0.111623D+02  0.275025D+01  0.527163D+01  0.319638D+01 -0.312334D+01
      2   0.159084D+02 -0.634881D+00 -0.529911D+01 -0.341980D+01 -0.311670D+01
      3  -0.474608D+01 -0.211537D+01  0.274807D-01  0.223418D+00  0.624005D+01
      4  -0.100127D+01  0.895651D+00 -0.402139D+01  0.117412D+01 -0.240706D+01
      5   0.318031D+00  0.519816D+01  0.534861D+01 -0.422595D+00  0.803849D+00
      6  -0.318897D+01  0.875888D+01 -0.629454D+00  0.465403D+01  0.122616D+01
                46            47            48            49            50 
      1  -0.162719D+02  0.859297D+01  0.432321D+01 -0.246166D+01  0.664262D+01
      2   0.149876D+02 -0.968702D+01 -0.113269D+01 -0.229110D+01 -0.179564D+02
      3   0.128433D+01  0.109405D+01 -0.319052D+01  0.475277D+01  0.113137D+02
      4   0.468307D+01 -0.507086D+01  0.343779D+00 -0.104800D+02 -0.983468D+01
      5  -0.557635D-01 -0.455414D-01 -0.924984D+01  0.138662D+01  0.591855D+00
      6  -0.376947D+00 -0.279179D+01 -0.554610D+01  0.739556D+00  0.127946D+01
                51            52            53            54            55 
      1  -0.151781D+00  0.190675D+01  0.521340D-01  0.590991D+01 -0.231173D+02
      2   0.113386D+00  0.531729D+00  0.678869D+01  0.824694D+01  0.168920D+02
      3   0.383950D-01 -0.243848D+01 -0.684082D+01 -0.141568D+02  0.622522D+01
      4   0.128619D+01  0.328717D+01  0.743992D-01  0.818817D+00  0.635761D+01
      5   0.952476D-01 -0.184588D+01 -0.111261D+01 -0.145374D+02 -0.689993D+01
      6  -0.250005D+01 -0.644355D+00 -0.927737D-01 -0.293769D+02  0.682133D+01
                56            57            58            59            60 
      1  -0.290933D+00 -0.502251D+01 -0.642735D+01 -0.877803D+01 -0.350577D+01
      2  -0.464414D+01  0.380884D+01 -0.331354D+01  0.248409D+02  0.236185D+01
      3   0.493507D+01  0.121367D+01  0.974090D+01 -0.160628D+02  0.114392D+01
      4   0.155518D+02  0.486627D+01  0.250310D+02 -0.309366D+02 -0.472657D+01
      5   0.176952D+01  0.472727D+01  0.234561D+01 -0.488516D+01 -0.435460D+01
      6  -0.198884D+01 -0.108762D+01 -0.248579D+01  0.684330D+01  0.975814D+01
                61            62            63            64            65 
      1  -0.972442D+01 -0.221832D+01 -0.489418D+01 -0.506073D+00 -0.406152D+00
      2   0.342535D+01  0.669143D+01  0.135778D+01 -0.224695D+01 -0.522521D+00
      3   0.629907D+01 -0.447311D+01  0.353641D+01  0.275302D+01  0.928673D+00
      4   0.133640D+02 -0.115551D+02 -0.609693D+01 -0.567759D+00  0.333239D+01
      5   0.623709D+01 -0.695554D+01 -0.463311D+01  0.282090D+01 -0.712826D+00
      6  -0.364094D+01  0.106936D+02  0.462778D+01 -0.219449D+01 -0.378083D+00
                66            67            68            69            70 
      1   0.269929D+01 -0.281968D+00 -0.267393D+01  0.187827D+01  0.329913D+01
      2  -0.140207D+01 -0.655612D+00  0.618052D+00 -0.266815D+01 -0.227831D+01
      3  -0.129721D+01  0.937580D+00  0.205588D+01  0.789879D+00 -0.102081D+01
      4  -0.239133D+01  0.320042D+01 -0.106081D+01  0.273005D+01 -0.387059D+01
      5   0.616786D+01  0.533274D-01  0.242963D+01 -0.100802D+00  0.453342D+01
      6   0.641867D+00  0.464815D+00 -0.322153D+01  0.663148D+01 -0.122790D+01
                71            72            73            74            75 
      1   0.290064D+01 -0.145111D+02  0.519506D+02 -0.591281D-01  0.423227D+01
      2  -0.270151D+01 -0.132009D+02 -0.328112D+02 -0.167451D+01 -0.527002D+01
      3  -0.199135D+00  0.277121D+02 -0.191394D+02  0.173364D+01  0.103775D+01
      4   0.431100D+01 -0.130491D+01  0.315838D+01  0.194377D+01  0.191792D+01
      5  -0.179185D+01  0.192533D+02  0.934498D+01  0.166481D+01  0.101516D+02
      6   0.503488D+01 -0.180999D+02  0.129012D+01  0.117986D+01  0.584642D-01
                76            77            78            79            80 
      1  -0.145022D+02 -0.519925D+01 -0.155670D+01  0.157895D+02  0.231192D+01
      2   0.518232D+01 -0.149024D+01  0.179226D+01 -0.100691D+02  0.520994D+00
      3   0.931984D+01  0.668950D+01 -0.235565D+00 -0.572041D+01 -0.283292D+01
      4  -0.973351D+01 -0.272884D+02  0.407490D+01  0.570746D+01  0.793174D+01
      5  -0.134038D+00  0.511458D+01 -0.300940D+01  0.141401D+02  0.426003D+00
      6  -0.379645D+00  0.659457D+00  0.267630D+01  0.192644D+01  0.303691D+01
                81            82            83            84            85 
      1   0.520462D+01  0.209747D+01  0.132452D+01 -0.482679D+01  0.129398D+01
      2  -0.817790D+01 -0.382503D+01 -0.979616D+00  0.254441D+01 -0.784333D+00
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                86            87            88            89            90 
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                91            92            93            94            95 
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                96            97            98            99           100 
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               106           107           108           109           110 
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               111           112           113           114           115 
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               116           117           118           119           120 
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               121           122           123           124           125 
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      6  -0.703803D+00 -0.441719D+00  0.689741D+01  0.786544D+00  0.403800D+01
               126           127           128           129           130 
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      6  -0.263632D+01 -0.565821D+00 -0.192120D+01  0.399547D+01 -0.203062D+00
               131           132           133           134           135 
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      6  -0.359645D-01  0.571586D+01  0.187316D+01 -0.158555D+01  0.303523D+02
               136           137           138           139           140 
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      6   0.418603D+01  0.305410D+00  0.950290D+00  0.154984D+00  0.401382D+01
               141           142           143           144           145 
      1  -0.203547D+01  0.499367D+00 -0.690297D+01 -0.176350D+02  0.445527D+02
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      6   0.728872D+01  0.176923D+01  0.919859D+01  0.274327D+02 -0.339530D+01
               146           147           148           149           150 
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               151           152           153           154           155 
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      6  -0.393820D+01  0.224316D+01 -0.351769D+00  0.879446D-01  0.685512D+00
               156           157           158           159           160 
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               161           162           163           164           165 
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               166           167           168           169           170 
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               171           172           173           174           175 
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      5  -0.526737D+00 -0.101753D+02  0.208304D+00  0.129389D+02  0.104619D+01
      6   0.608673D-01  0.913816D+00 -0.731599D+00 -0.430678D+01 -0.495435D+00
               176           177           178           179           180 
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      6   0.257614D+01  0.705623D+01 -0.381067D+01  0.471753D+01  0.333235D+01
               181           182           183           184           185 
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      5   0.674349D+01 -0.152637D+00  0.450967D+01 -0.959309D-01  0.528283D+01
      6   0.669022D-02 -0.600109D+00 -0.235168D+00  0.769654D+00  0.906620D+00
               186           187           188           189           190 
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      6   0.576621D+01  0.861823D+00  0.532698D+01  0.422558D+01 -0.969414D+00
               191           192           193           194           195 
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      6  -0.399161D+00  0.151356D+01 -0.350266D+00 -0.170337D+01  0.322658D+01
               196           197           198           199           200 
      1  -0.853408D+01 -0.138637D+01  0.207676D+01 -0.145961D+01  0.266668D+01
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      4  -0.346753D+01 -0.914171D+01  0.692002D+01  0.782224D+00  0.339030D+01
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      6   0.216922D+01  0.391443D+01 -0.197307D+01 -0.294862D+01  0.157996D+01
               201           202           203           204           205 
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      2   0.126779D+01 -0.448702D+00  0.799101D+01 -0.523482D+01 -0.251867D-01
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      4  -0.319898D+01  0.237564D+01  0.126174D+01 -0.110032D+01 -0.626149D+01
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      6  -0.379929D+01 -0.186468D+00 -0.569973D+01  0.640030D+01  0.379194D+00
               206           207           208           209           210 
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      2  -0.139890D+02  0.552475D+01  0.613839D+01  0.770093D+01 -0.787493D+00
      3   0.885572D+00  0.108033D+02  0.250436D+01  0.250664D+00 -0.753245D+00
      4  -0.532805D+01  0.279707D+01 -0.213742D+00 -0.833735D+01 -0.144167D+00
      5   0.429710D+01 -0.101434D+02  0.145502D+01  0.608347D+00 -0.162960D+01
      6   0.182386D+02 -0.361671D+02 -0.606918D+00 -0.334522D+00  0.207628D+00
               211           212           213           214           215 
      1  -0.161237D+02 -0.145396D+02  0.180269D+01  0.297105D+01  0.188418D+01
      2   0.904058D+01  0.225371D+02 -0.215054D+01 -0.173353D+01 -0.235378D+01
      3   0.708311D+01 -0.799748D+01  0.347854D+00 -0.123752D+01  0.469605D+00
      4   0.471638D+01 -0.343957D+02  0.123409D+01 -0.542498D+00  0.443043D+01
      5   0.169237D+01  0.228240D+01 -0.693620D+01  0.215317D+01 -0.422488D+01
      6  -0.251203D-01 -0.121388D+01  0.321970D+01 -0.822477D-01  0.419742D+01
               216 
      1  -0.192340D+01
      2   0.972115D+00
      3   0.951282D+00
      4  -0.360143D+01
      5  -0.399817D+00
      6  -0.541406D+00
 Leave Link  716 at Thu Aug 12 20:55:00 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110911D+03  0.141163D+01  0.338110D+00
      2   0.141163D+01  0.105469D+03 -0.473741D+00
      3   0.338110D+00 -0.473741D+00  0.853039D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.325194D+00 -0.398404D+01 -0.187345D+01
      2  -0.280030D+01  0.166379D+01  0.635822D+01
      3   0.117892D+02 -0.121343D+02 -0.309882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.284141D+02 -0.170107D+02 -0.979634D+01
      2  -0.251425D+02  0.187752D+02  0.443566D+01
      3  -0.327156D+01 -0.176452D+01  0.536067D+01
      4  -0.189002D+01 -0.101122D+02  0.100273D+01
      5  -0.266920D+01  0.180197D+01  0.105354D+02
      6  -0.386813D+01  0.758221D+01  0.156667D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.235582D+01 -0.228299D+01 -0.866917D+00 -0.267414D+01  0.244228D+01
      2  -0.228299D+01  0.301617D+01  0.214115D+00  0.244228D+01  0.165715D+00
      3  -0.866917D+00  0.214115D+00 -0.633868D+00  0.329076D+00 -0.888658D+00
                 6             7             8             9            10 
      1   0.329076D+00 -0.137866D+01  0.671214D+00 -0.149900D+00  0.327287D+01
      2  -0.888658D+00  0.671214D+00 -0.152661D+01 -0.541520D+00  0.178443D+01
      3   0.441110D+00 -0.149900D+00 -0.541520D+00  0.830064D+01  0.115848D+01
                11            12            13            14            15 
      1   0.178443D+01  0.115848D+01  0.168339D+01 -0.230424D+01 -0.248670D+00
      2  -0.139324D+01  0.775733D-02 -0.230424D+01 -0.127913D+01  0.465500D+00
      3   0.775733D-02 -0.143492D+01 -0.248670D+00  0.465500D+00  0.545860D+00
                16            17            18            19            20 
      1   0.233264D+01 -0.108271D+00 -0.600199D-01  0.195746D+01  0.219367D+01
      2  -0.108271D+00  0.531552D+00  0.444316D+00  0.219367D+01 -0.262888D+01
      3  -0.600199D-01  0.444316D+00 -0.856985D+01  0.741909D+00  0.179868D+00
                21            22            23            24            25 
      1   0.741909D+00  0.147995D+01 -0.327493D+01 -0.266549D-02  0.110197D+01
      2   0.179868D+00 -0.327493D+01 -0.168001D+01  0.952399D+00  0.438355D+00
      3   0.302120D+00 -0.266549D-02  0.952399D+00  0.973650D+00 -0.271015D+00
                26            27            28            29            30 
      1   0.438355D+00 -0.271015D+00 -0.203611D+01  0.356984D-01 -0.887018D+00
      2   0.206256D+01  0.467226D+00  0.356984D-01  0.293507D+01 -0.285744D+00
      3   0.467226D+00 -0.814709D+01 -0.887018D+00 -0.285744D+00 -0.369949D+00
                31            32            33            34            35 
      1   0.818369D+00  0.408423D+01  0.480386D+00 -0.145962D+01  0.148942D+00
      2   0.408423D+01  0.223329D+01 -0.924027D+00  0.148942D+00 -0.141501D+01
      3   0.480386D+00 -0.924027D+00 -0.643550D+00 -0.190661D+00  0.144094D+00
                36            37            38            39            40 
      1  -0.190661D+00  0.606277D+01 -0.211184D+00  0.703980D+00 -0.163002D+01
      2   0.144094D+00 -0.211184D+00 -0.808548D-01 -0.547830D+00 -0.708502D+00
      3   0.851497D+01  0.703980D+00 -0.547830D+00 -0.297763D+00 -0.274716D+00
                41            42            43            44            45 
      1  -0.708502D+00 -0.274716D+00  0.288804D+01  0.589268D+00  0.421423D+00
      2  -0.407741D+01  0.735011D+00  0.589268D+00  0.176095D+01 -0.474009D+00
      3   0.735011D+00  0.449335D+00  0.421423D+00 -0.474009D+00 -0.139808D+01
                46            47            48            49            50 
      1  -0.365575D+01 -0.296235D+01 -0.526085D+00 -0.107819D+01  0.189306D+01
      2  -0.296235D+01  0.824846D+00  0.814293D+00  0.189306D+01  0.119371D+01
      3  -0.526085D+00  0.814293D+00  0.478485D+00  0.339154D-01 -0.156458D+00
                51            52            53            54            55 
      1   0.339154D-01 -0.206846D+01  0.119800D+00  0.501795D-01  0.367723D+01
      2  -0.156458D+00  0.119800D+00 -0.104954D+01 -0.942116D-01  0.186328D+01
      3  -0.190083D+01  0.501795D-01 -0.942116D-01  0.846269D+01  0.139015D+01
                56            57            58            59            60 
      1   0.186328D+01  0.139015D+01  0.323028D+01 -0.276697D+01 -0.182442D+00
      2  -0.130595D+01 -0.617694D-01 -0.276697D+01  0.645933D+01  0.110544D+01
      3  -0.617694D-01  0.792761D+00 -0.182442D+00  0.110544D+01  0.876194D-01
                61            62            63            64            65 
      1   0.295458D+01 -0.115658D+01 -0.547648D+00  0.430181D+00  0.344531D+00
      2  -0.115658D+01  0.227290D+01  0.140957D+01  0.344531D+00 -0.577238D+00
      3  -0.547648D+00  0.140957D+01  0.257665D+00 -0.941633D+00  0.728229D-01
                66            67            68            69            70 
      1  -0.941633D+00  0.480619D+00 -0.481389D+00  0.861979D-01 -0.186480D+01
      2   0.728229D-01 -0.481389D+00  0.500201D-01 -0.103425D+01  0.185172D+00
      3  -0.432253D-01  0.861979D-01 -0.103425D+01  0.297867D+00 -0.370890D+00
                71            72            73            74            75 
      1   0.185172D+00 -0.370890D+00 -0.754859D+01 -0.281766D-02 -0.106383D+01
      2  -0.177138D+01  0.691093D+00 -0.281766D-02  0.759361D+00 -0.199489D+00
      3   0.691093D+00 -0.766448D+01 -0.106383D+01 -0.199489D+00  0.584967D+00
                76            77            78            79            80 
      1   0.321594D+01  0.109411D+01  0.198668D+00 -0.295362D+01 -0.643164D+00
      2   0.109411D+01  0.453327D+01 -0.917339D+00 -0.643164D+00 -0.137176D+01
      3   0.198668D+00 -0.917339D+00  0.873786D+00 -0.134483D+01 -0.271883D-01
                81            82            83            84            85 
      1  -0.134483D+01 -0.625163D+00 -0.309684D+00  0.102359D+01 -0.396809D+00
      2  -0.271883D-01 -0.309684D+00  0.403300D+00  0.105172D-01  0.362416D+00
      3  -0.256275D+00  0.102359D+01  0.105172D-01  0.230885D-01  0.307481D-01
                86            87            88            89            90 
      1   0.362416D+00  0.307481D-01  0.184462D+01  0.197384D+00 -0.505428D+00
      2   0.965750D-01  0.108778D+01  0.197384D+00  0.174025D+01 -0.496458D+00
      3   0.108778D+01 -0.549647D+00 -0.505428D+00 -0.496458D+00  0.785424D+01
                91            92            93            94            95 
      1  -0.125474D+00 -0.440913D+00  0.970523D+00 -0.310296D+00  0.566109D+00
      2  -0.440913D+00  0.498382D+00  0.578925D-01  0.566109D+00  0.426344D+00
      3   0.970523D+00  0.578925D-01  0.247593D-01  0.913827D-01  0.104713D+01
                96            97            98            99           100 
      1   0.913827D-01  0.183932D+01 -0.653760D-01  0.337095D+00  0.407400D+01
      2   0.104713D+01 -0.653760D-01  0.183022D+01  0.384374D+00  0.509150D+00
      3   0.527797D-01  0.337095D+00  0.384374D+00  0.773673D+01 -0.923947D+00
               101           102           103           104           105 
      1   0.509150D+00 -0.923947D+00 -0.305673D+00  0.400523D+01  0.805462D-01
      2   0.573856D+01 -0.833579D-01  0.400523D+01  0.222542D+01 -0.868336D+00
      3  -0.833579D-01  0.436433D+00  0.805462D-01 -0.868336D+00 -0.727428D+00
               106           107           108           109           110 
      1  -0.120078D+01 -0.288117D+00  0.885552D+00  0.257815D+01  0.190144D+00
      2  -0.288117D+00 -0.259444D+01  0.105194D+01  0.190144D+00 -0.236399D+01
      3   0.885552D+00  0.105194D+01 -0.130275D+00  0.160375D+01  0.349764D+00
               111           112           113           114           115 
      1   0.160375D+01  0.475097D+00 -0.413085D+01  0.492448D-01  0.219038D+01
      2   0.349764D+00 -0.413085D+01 -0.290641D+01  0.120134D+01 -0.201953D+00
      3   0.111045D+01  0.492448D-01  0.120134D+01 -0.690674D+00 -0.689396D+00
               116           117           118           119           120 
      1  -0.201953D+00 -0.689396D+00  0.105639D+01  0.218988D+00 -0.104511D+01
      2   0.148607D+01 -0.143649D+01  0.218988D+00 -0.329188D+00  0.501310D-01
      3  -0.143649D+01 -0.769183D+01 -0.104511D+01  0.501310D-01  0.650009D+00
               121           122           123           124           125 
      1   0.166776D+00 -0.418022D+00 -0.272753D+00 -0.214680D+01 -0.200212D+00
      2  -0.418022D+00 -0.139458D-01 -0.101489D+01 -0.200212D+00 -0.160641D+01
      3  -0.272753D+00 -0.101489D+01  0.122062D+00  0.985881D+00  0.179884D+00
               126           127           128           129           130 
      1   0.985881D+00 -0.106894D+01 -0.142544D+01  0.174883D+00 -0.175908D+01
      2   0.179884D+00 -0.142544D+01 -0.127520D+01  0.201071D+00 -0.148897D+01
      3  -0.767642D+01  0.174883D+00  0.201071D+00 -0.367004D+00 -0.994362D-01
               131           132           133           134           135 
      1  -0.148897D+01 -0.994362D-01 -0.173806D+00 -0.170042D+00 -0.197748D+00
      2  -0.841826D+01 -0.442802D+00 -0.170042D+00 -0.222710D+01  0.106369D+01
      3  -0.442802D+00  0.107131D+01 -0.197748D+00  0.106369D+01 -0.571226D+01
               136           137           138           139           140 
      1   0.162758D+00  0.105879D+00 -0.115284D+01  0.110744D+00 -0.437570D+00
      2   0.105879D+00 -0.263856D+00 -0.189125D+00 -0.437570D+00 -0.100212D+01
      3  -0.115284D+01 -0.189125D+00 -0.193391D+00  0.171395D-01 -0.994290D+00
               141           142           143           144           145 
      1   0.171395D-01 -0.180329D+01 -0.486454D+00 -0.430315D+00 -0.908619D+01
      2  -0.994290D+00 -0.486454D+00 -0.189071D+01 -0.147165D+01  0.185009D+01
      3  -0.338979D+00 -0.430315D+00 -0.147165D+01 -0.792087D+01 -0.530999D+00
               146           147           148           149           150 
      1   0.185009D+01 -0.530999D+00 -0.248377D-01 -0.693377D+00  0.735641D-02
      2  -0.207722D+01 -0.905789D-01 -0.693377D+00  0.315442D+00 -0.229933D+00
      3  -0.905789D-01 -0.125366D+01  0.735641D-02 -0.229933D+00  0.191203D+00
               151           152           153           154           155 
      1  -0.162826D+01  0.299911D+00 -0.103789D+01 -0.287175D+01 -0.204430D+01
      2   0.299911D+00 -0.566569D+00  0.361744D+00 -0.204430D+01 -0.233256D+01
      3  -0.103789D+01  0.361744D+00 -0.111276D+00  0.131518D+00  0.265785D-01
               156           157           158           159           160 
      1   0.131518D+00 -0.449090D+01 -0.327745D+01 -0.184967D+00  0.721089D+00
      2   0.265785D-01 -0.327745D+01 -0.590452D+01  0.228087D+00  0.339331D+00
      3  -0.672236D+00 -0.184967D+00  0.228087D+00 -0.100260D+01 -0.784763D+00
               161           162           163           164           165 
      1   0.339331D+00 -0.784763D+00 -0.205447D+01  0.146151D+01  0.236355D+00
      2   0.697635D+00 -0.661449D+00  0.146151D+01 -0.392432D+01  0.545949D-01
      3  -0.661449D+00 -0.345589D-01  0.236355D+00  0.545949D-01 -0.444995D+00
               166           167           168           169           170 
      1   0.184253D+01 -0.145962D+01 -0.113460D+00  0.388002D+00 -0.161795D+00
      2  -0.145962D+01  0.715341D+01  0.140017D+00 -0.161795D+00  0.826711D+00
      3  -0.113460D+00  0.140017D+00  0.108643D+01 -0.174628D+00  0.926564D+00
               171           172           173           174           175 
      1  -0.174628D+00  0.766212D+01 -0.228758D+01 -0.134585D+01 -0.922146D+00
      2   0.926564D+00 -0.228758D+01  0.333640D+01 -0.375747D-01  0.339955D+01
      3  -0.904214D-01 -0.134585D+01 -0.375747D-01  0.362712D+00 -0.823594D-02
               176           177           178           179           180 
      1   0.339955D+01 -0.823594D-02 -0.234625D+01  0.688120D+00  0.171737D+01
      2   0.193754D+01 -0.695962D+00  0.688120D+00 -0.145480D+01 -0.563223D+00
      3  -0.695962D+00  0.827407D+00  0.171737D+01 -0.563223D+00 -0.603634D+00
               181           182           183           184           185 
      1  -0.329282D+00  0.326621D+00  0.110022D+01 -0.270111D+00  0.734179D+00
      2   0.326621D+00  0.238355D+00 -0.115075D+00  0.734179D+00  0.471756D+00
      3   0.110022D+01 -0.115075D+00 -0.252338D+00 -0.285422D-01  0.102249D+01
               186           187           188           189           190 
      1  -0.285422D-01  0.237509D+01 -0.206026D+00  0.134003D+01  0.269937D+01
      2   0.102249D+01 -0.206026D+00  0.152076D+01  0.118317D+01  0.207676D+01
      3  -0.183057D-01  0.134003D+01  0.118317D+01  0.853615D+01 -0.696378D+00
               191           192           193           194           195 
      1   0.207676D+01 -0.696378D+00  0.331052D+01  0.272092D+01 -0.206886D+00
      2   0.216083D+01 -0.200783D+00  0.272092D+01  0.558705D+01 -0.810716D+00
      3  -0.200783D+00  0.601002D+00 -0.206886D+00 -0.810716D+00  0.900993D+00
               196           197           198           199           200 
      1  -0.158546D+01 -0.376380D+00  0.913771D+00 -0.177047D+00 -0.478052D+00
      2  -0.376380D+00 -0.150514D+01  0.106365D+01 -0.478052D+00  0.258023D+00
      3   0.913771D+00  0.106365D+01 -0.167186D+00  0.517529D+00 -0.243041D+00
               201           202           203           204           205 
      1   0.517529D+00 -0.384301D+00 -0.124304D-01  0.229263D-01  0.142471D+01
      2  -0.243041D+00 -0.124304D-01 -0.140531D+01  0.807040D+00  0.352131D+00
      3   0.613479D+00  0.229263D-01  0.807040D+00 -0.822199D+00 -0.119308D+00
               206           207           208           209           210 
      1   0.352131D+00 -0.119308D+00 -0.169871D+01 -0.515431D+00  0.227721D+00
      2   0.344397D+01 -0.288227D+01 -0.515431D+00 -0.161678D+01  0.149638D-01
      3  -0.288227D+01  0.646621D+01  0.227721D+00  0.149638D-01 -0.169172D-01
               211           212           213           214           215 
      1  -0.256770D+01  0.152238D+00  0.195188D+00  0.549372D+00  0.347448D-01
      2   0.152238D+00 -0.616175D+01  0.185422D+00  0.347448D-01  0.805872D+00
      3   0.195188D+00  0.185422D+00 -0.122720D+01  0.223141D+00 -0.722854D+00
               216 
      1   0.223141D+00
      2  -0.722854D+00
      3   0.452013D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111655D+01  0.123594D+00 -0.104042D+01 -0.152036D+01  0.672446D+00
      2   0.138397D+01 -0.314998D+00  0.476783D+00 -0.309785D+00  0.214322D+01
      3  -0.329901D+01 -0.209467D+01 -0.933150D+00  0.316107D+01  0.148990D+01
                 6             7             8             9            10 
      1  -0.356355D+00  0.197697D-01  0.407717D+01 -0.718298D+01  0.642210D+00
      2   0.700932D+00 -0.290109D+01  0.372795D+00 -0.823796D+01 -0.177068D+01
      3  -0.234265D+00  0.106770D+00 -0.126608D+01 -0.785480D+00  0.787058D+00
                11            12            13            14            15 
      1  -0.675589D+00 -0.308567D+00  0.443105D+00 -0.163664D+01 -0.106414D+01
      2  -0.115933D+01  0.119272D+01  0.745948D-01 -0.231792D+01 -0.178020D+01
      3  -0.534613D+01 -0.757658D+00  0.436997D+00 -0.314872D+00  0.184118D+01
                16            17            18            19            20 
      1  -0.714620D+00  0.225830D+01 -0.412184D+01 -0.828362D+00 -0.286419D+00
      2  -0.337919D+01 -0.129822D+01  0.108050D+02 -0.120609D+01  0.324966D+00
      3  -0.117599D+01  0.112118D+01  0.766237D+00  0.158146D+01  0.635355D+00
                21            22            23            24            25 
      1   0.841109D+00 -0.447062D+00 -0.165832D+01 -0.204431D+00  0.142024D+01
      2   0.143525D+01 -0.903507D+00  0.289307D+00 -0.429269D+00 -0.352512D+01
      3   0.118417D+01  0.597063D+01 -0.426876D+01 -0.107988D+01  0.120061D+01
                26            27            28            29            30 
      1   0.276248D+01  0.868490D+01  0.837424D+00 -0.357981D+00  0.155726D+01
      2  -0.216109D+00 -0.171656D+01 -0.177864D+01 -0.548022D+00 -0.102963D+00
      3   0.295415D+00 -0.907222D+00 -0.596440D+01 -0.875263D+01 -0.494770D+00
                31            32            33            34            35 
      1  -0.112544D+01  0.981244D+00  0.173705D+01  0.168814D+01  0.314083D+01
      2  -0.684877D+00 -0.145867D+01 -0.191166D+01 -0.491718D+01  0.198973D+01
      3  -0.619533D+01 -0.277854D+01  0.207855D+01 -0.450573D+00  0.124871D+01
                36            37            38            39            40 
      1  -0.368788D+01  0.976092D+00  0.458738D+00 -0.299921D+01  0.914277D+00
      2   0.147682D+02  0.712751D+00  0.336626D+00  0.837073D+01  0.165001D+00
      3  -0.330559D+00 -0.871610D+01 -0.705782D+01 -0.865298D+00  0.116462D+02
                41            42            43            44            45 
      1   0.728458D+00 -0.601742D+01  0.253648D+01  0.453479D+01 -0.269195D+00
      2   0.116898D+01  0.214315D+01 -0.520179D+01 -0.261034D+01  0.681647D+00
      3   0.526861D+01 -0.895099D+00 -0.359835D+01 -0.226179D+01 -0.237828D+00
                46            47            48            49            50 
      1  -0.482642D+00 -0.362604D-01  0.214085D+01 -0.506717D+00 -0.827852D+00
      2   0.123839D+01  0.223509D+00 -0.487129D+01 -0.680419D+00  0.143605D+01
      3   0.318858D+01  0.517938D+01  0.100573D+01  0.287268D+01  0.142843D+01
                51            52            53            54            55 
      1  -0.113884D+01 -0.154491D+01  0.269902D+01  0.128520D+02 -0.305794D+01
      2  -0.347733D-01 -0.432664D+01 -0.147903D+01 -0.889237D+01 -0.642634D+01
      3  -0.136621D+01  0.292502D+01 -0.133236D+01 -0.113832D+00  0.152555D+02
                56            57            58            59            60 
      1   0.530300D-01  0.519031D+00  0.138496D+01 -0.200293D+01 -0.533943D+01
      2   0.177653D+01  0.155166D+01  0.295867D+00 -0.192297D+01 -0.252556D+01
      3  -0.178566D+01  0.252009D+01  0.810046D+01  0.894994D+01  0.106995D+01
                61            62            63            64            65 
      1   0.351098D+00  0.104552D+01 -0.216904D+01  0.762836D+00 -0.139616D+00
      2  -0.413112D+01 -0.153511D+01 -0.219731D+01  0.164395D+01 -0.331289D+00
      3   0.540177D+01  0.349248D+01  0.153538D+01  0.821429D+00 -0.125303D+01
                66            67            68            69            70 
      1  -0.527603D+00 -0.211974D+00  0.144261D+01 -0.716143D+00 -0.118420D+00
      2   0.782861D+00 -0.137470D+00  0.854779D+00  0.288767D+00 -0.384593D+01
      3  -0.698547D+00  0.104655D+01 -0.424974D+00 -0.945453D+00 -0.201379D+01
                71            72            73            74            75 
      1   0.367182D+01  0.740573D+01 -0.162062D+01 -0.687532D+00 -0.247192D+00
      2  -0.356759D+00  0.854656D+01  0.351629D+01  0.185188D+01  0.585913D+01
      3  -0.190869D+01  0.598824D+00  0.750309D+01 -0.339299D+01  0.275402D+00
                76            77            78            79            80 
      1  -0.243632D+01 -0.280018D+01 -0.933719D+00  0.572376D+00  0.409619D+01
      2   0.906103D+00  0.343476D+01 -0.204439D+01 -0.203615D+00 -0.547561D+00
      3   0.455906D+01  0.191947D+02 -0.220709D+01  0.128965D+01 -0.515412D+01
                81            82            83            84            85 
      1  -0.747553D+00  0.405799D+00  0.390539D+00  0.515123D+00  0.650683D+00
      2   0.253515D+01 -0.205176D+01 -0.470212D-01  0.303773D+00  0.248223D+00
      3   0.796395D+00 -0.880070D-01 -0.237192D+00 -0.289412D+00  0.166861D+01
                86            87            88            89            90 
      1   0.728005D+00 -0.164788D+01  0.127969D+00  0.417248D+01  0.277367D+01
      2  -0.167926D+01  0.337080D+00 -0.346713D+01  0.576378D+00 -0.119315D+02
      3   0.315582D+00  0.120294D+01 -0.618733D+00  0.284299D+01 -0.874427D-01
                91            92            93            94            95 
      1  -0.164228D+01  0.529809D-01  0.249600D+00 -0.210327D+00 -0.150301D+01
      2   0.257681D+00  0.771666D+00  0.657103D+00  0.676499D+00  0.270248D+00
      3   0.112677D+00 -0.165842D+01  0.111866D+01  0.462431D+00  0.421661D+00
                96            97            98            99           100 
      1  -0.399087D+00 -0.498563D+00  0.367650D+01 -0.951535D+01  0.236145D+01
      2  -0.363538D+00 -0.470819D+01  0.144750D+00  0.176126D+01  0.235782D+00
      3  -0.160723D+00  0.253608D+01 -0.881468D+00  0.299132D+00  0.141017D+02
               101           102           103           104           105 
      1  -0.992638D+00 -0.337123D+01 -0.600195D+00  0.453322D+01 -0.397135D+01
      2  -0.149973D+01  0.317011D+01  0.487133D+00  0.516674D+00  0.156720D+01
      3  -0.107730D+02 -0.179638D+01 -0.947299D+00  0.921905D+01  0.116266D+01
               106           107           108           109           110 
      1  -0.247098D+01  0.211665D+01  0.216550D+01 -0.180884D+01 -0.116094D+01
      2  -0.218950D+01  0.111071D+01 -0.523187D+00  0.366838D+01  0.134898D+01
      3  -0.441801D+01  0.142566D+01  0.122876D+01  0.361949D+01  0.605217D+01
               111           112           113           114           115 
      1  -0.237751D+01 -0.250197D+01 -0.328830D+01  0.495242D+00  0.739036D-02
      2   0.233932D+01  0.177010D+01  0.473292D+01 -0.103917D+00 -0.669645D+01
      3  -0.573909D+00  0.153546D+02  0.516386D+01 -0.349616D+01  0.963966D+00
               116           117           118           119           120 
      1   0.227004D+01  0.516294D+01  0.310298D+00  0.475628D+00  0.356381D+00
      2  -0.374392D+01 -0.203480D+02 -0.119072D+01  0.239036D+00  0.181835D+01
      3  -0.481608D+01  0.387207D+01 -0.979863D-01  0.328085D+00 -0.447204D+00
               121           122           123           124           125 
      1   0.214756D+00  0.505052D-01 -0.613401D+00 -0.463928D-01  0.391474D+01
      2  -0.419808D+00 -0.167172D+01  0.136629D+00 -0.355660D+01 -0.414274D-01
      3   0.261417D+01 -0.704841D+00  0.153362D+01 -0.232165D+00  0.290798D+01
               126           127           128           129           130 
      1   0.244481D+01  0.280006D-02  0.238921D-01 -0.192478D+01  0.808482D-01
      2  -0.113606D+02  0.146811D+00 -0.171173D+01  0.496282D+01  0.501162D+00
      3  -0.103321D+01  0.285364D+01 -0.198278D+01  0.840549D+00  0.986850D+01
               131           132           133           134           135 
      1  -0.266987D+00 -0.405624D+01  0.261050D+00  0.633509D+01 -0.179829D+02
      2   0.132890D+00  0.567844D-03  0.136834D+00 -0.906305D+00  0.494632D+01
      3  -0.443002D+01 -0.263571D-01  0.474874D+00 -0.604299D+00  0.195641D+01
               136           137           138           139           140 
      1  -0.211033D+01 -0.169179D+00 -0.515313D+00  0.313325D+00 -0.121673D+01
      2   0.919857D+00  0.250770D+00  0.856989D+00  0.693457D+00  0.687262D+00
      3  -0.520718D-01 -0.173591D+01  0.200820D+01  0.258794D+00  0.312078D+00
               141           142           143           144           145 
      1  -0.100024D+01 -0.936240D-01  0.258378D+01 -0.118086D+02  0.177955D+01
      2   0.770860D-01 -0.402304D+01  0.795046D+00  0.694185D+01  0.514621D+01
      3  -0.560327D+00  0.336223D+01 -0.475406D+00  0.546864D+00 -0.188530D+02
               146           147           148           149           150 
      1   0.521524D-01  0.251139D+01  0.351142D-01  0.595002D+00 -0.109693D+00
      2  -0.515623D+00  0.444657D+01  0.150654D+00  0.529482D+00 -0.166382D+00
      3  -0.328485D+01 -0.191214D+01 -0.186121D+01 -0.259812D+01 -0.685298D+00
               151           152           153           154           155 
      1   0.193863D+01  0.266981D+00  0.240676D+00  0.987640D+00  0.109115D+01
      2   0.230774D+01 -0.855653D+00  0.741684D+00 -0.936305D+00 -0.777099D+00
      3  -0.402914D+01 -0.128318D+01 -0.131973D+01 -0.473600D+01 -0.601744D+01
               156           157           158           159           160 
      1  -0.109051D+01  0.167685D+01  0.280141D+01 -0.216827D+01 -0.111261D+01
      2   0.200072D+01 -0.915356D+00 -0.229257D+01  0.363169D+01  0.965914D+00
      3  -0.982470D-01 -0.444990D+01 -0.201395D+02  0.123689D+01 -0.586098D-01
               161           162           163           164           165 
      1  -0.587155D-01  0.393828D+00 -0.146797D+01  0.128606D+01  0.219066D+01
      2   0.199742D+01  0.101560D+00 -0.309599D+00  0.709186D+00 -0.874785D-01
      3   0.284307D+01 -0.105847D+01 -0.110848D+02  0.783208D+01  0.111741D+01
               166           167           168           169           170 
      1   0.119148D+01 -0.223186D+01 -0.381095D+01  0.729669D+00 -0.170675D+01
      2   0.388211D+00 -0.946283D+00 -0.173293D+00 -0.107143D+01  0.127448D+00
      3   0.904366D+01 -0.113007D+02 -0.609997D+00  0.217561D+01 -0.134293D+01
               171           172           173           174           175 
      1  -0.403155D-01 -0.413074D+00 -0.566436D+00  0.337179D+01  0.354689D+00
      2  -0.272272D+00 -0.445402D+01  0.107016D+01  0.665197D+01 -0.123312D+01
      3  -0.100036D+01  0.137888D+01 -0.188942D+02 -0.638074D-01 -0.106044D+02
               176           177           178           179           180 
      1  -0.250558D+01 -0.332945D+01 -0.789396D-01  0.425778D+01 -0.198982D+01
      2  -0.238072D+01 -0.334612D+00  0.249419D+01 -0.179449D+01 -0.296758D+01
      3  -0.985851D+01  0.262571D+01  0.199292D+00  0.585632D+01  0.151118D+01
               181           182           183           184           185 
      1  -0.278076D+00 -0.118050D+00 -0.578988D-01  0.278166D+00 -0.194591D+00
      2   0.411072D+01 -0.839858D+00 -0.429381D+00 -0.258397D+00  0.270757D+01
      3  -0.132786D+01 -0.113853D+01  0.779579D+00 -0.958483D+00 -0.946934D+00
               186           187           188           189           190 
      1  -0.303572D-01 -0.102985D+01  0.350331D+01 -0.401554D+01  0.144769D+01
      2   0.711562D-03 -0.144734D+01  0.380954D+01  0.233076D+02 -0.251835D+01
      3  -0.253393D+01  0.169641D+01 -0.439236D+01 -0.313475D+01 -0.425179D+01
               191           192           193           194           195 
      1   0.804749D+00 -0.127230D+01  0.112703D+01  0.229737D+01 -0.254922D+01
      2  -0.105825D+01  0.273795D+01 -0.113866D+01 -0.338263D+01  0.344108D+01
      3  -0.612076D+01  0.233564D+00 -0.343906D+01 -0.166584D+02  0.249825D+01
               196           197           198           199           200 
      1  -0.943560D+00 -0.150842D+00  0.477082D+00  0.162426D+01 -0.382729D+00
      2   0.175789D+01  0.318808D+01 -0.784933D+00 -0.117696D+01 -0.248888D+00
      3  -0.326696D+00  0.476066D+01 -0.259737D+01 -0.662997D+00  0.579369D+00
               201           202           203           204           205 
      1   0.210618D+01  0.919716D-01  0.303034D+01 -0.268609D+01 -0.385735D+00
      2  -0.682702D+00 -0.628986D+00 -0.115099D+01  0.965919D+00 -0.263735D+01
      3  -0.149939D+01  0.997545D+00 -0.122731D+01  0.728452D+00 -0.400635D+01
               206           207           208           209           210 
      1  -0.624035D+01  0.204153D+02  0.455538D+00  0.760855D+00 -0.626837D+00
      2   0.268836D+01 -0.592160D+01  0.100859D+01 -0.883247D-01 -0.789270D+00
      3   0.214060D+01 -0.267228D+01  0.722678D+01  0.818554D+01 -0.416497D+00
               211           212           213           214           215 
      1   0.633177D+00  0.250923D+01 -0.274130D+01  0.890564D-01 -0.492740D+00
      2   0.953383D+00  0.299591D+00 -0.342323D+01 -0.891497D+00 -0.212005D+01
      3   0.585137D+01  0.245925D+02 -0.100727D+01 -0.140387D+01 -0.321631D+01
               216 
      1   0.277658D+00
      2  -0.152985D+00
      3   0.216729D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.657587D+01 -0.174303D+01  0.182816D+00  0.592689D+01 -0.102641D+01
      2  -0.606436D+01  0.971149D+01 -0.103264D+01  0.101340D+01 -0.529642D+01
      3  -0.511514D+00 -0.796846D+01  0.849823D+00 -0.694028D+01  0.632283D+01
      4   0.648954D+01 -0.116786D+02 -0.112612D+01 -0.157012D+02  0.815288D+01
      5   0.293802D+01 -0.164683D+01 -0.209829D+01 -0.348544D+01  0.127126D+01
      6  -0.884337D+00  0.262123D+01  0.301052D+01  0.288256D+01 -0.306119D+01
                 6             7             8             9            10 
      1   0.408109D+00  0.367816D+01  0.853897D+00  0.710134D+01 -0.186525D+02
      2   0.164625D+00  0.822167D+00 -0.556269D+01  0.499049D+01  0.940944D+01
      3  -0.572735D+00 -0.450033D+01  0.470880D+01 -0.120918D+02  0.924308D+01
      4   0.196445D+01 -0.411309D+01  0.705114D+01  0.972969D+00 -0.643188D+01
      5   0.248613D+01  0.127582D+01  0.201244D+01 -0.194923D+02 -0.616369D+01
      6  -0.428789D+01  0.938990D+00 -0.247635D+00  0.172558D+02 -0.837972D+00
                11            12            13            14            15 
      1  -0.684927D+01 -0.106341D+01 -0.905081D+01  0.678881D+01  0.117314D+01
      2   0.309358D+01  0.359798D+01  0.584002D+01 -0.257653D+01 -0.641046D+00
      3   0.375569D+01 -0.253458D+01  0.321079D+01 -0.421228D+01 -0.532092D+00
      4  -0.286598D+01 -0.494823D+00  0.661996D+01  0.262741D+01 -0.483700D+00
      5  -0.111573D+01 -0.179900D+01  0.118052D+00  0.147226D+00 -0.417131D+01
      6  -0.204655D+01  0.428909D+00 -0.627916D+00 -0.727768D+00 -0.130462D+00
                16            17            18            19            20 
      1  -0.114765D+02 -0.235484D+01  0.851109D+01 -0.858295D+01  0.763514D+01
      2   0.582432D+01 -0.232924D+00  0.506617D+01  0.625939D+01 -0.123356D+02
      3   0.565218D+01  0.258776D+01 -0.135773D+02  0.232355D+01  0.470044D+01
      4  -0.130976D+01 -0.123342D+01 -0.136207D+01  0.188498D+01 -0.274139D+01
      5   0.326874D+00 -0.192375D+01  0.273499D+02  0.189124D+01  0.127348D+01
      6   0.147034D+00 -0.340659D+00  0.110243D+02  0.646785D+00  0.165961D+01
                21            22            23            24            25 
      1  -0.835686D+00  0.403384D+01  0.424691D+01 -0.287005D+01 -0.150836D+01
      2  -0.103538D+01 -0.919135D+01 -0.992545D+01  0.348469D+00  0.369690D+01
      3   0.187107D+01  0.515752D+01  0.567854D+01  0.252158D+01 -0.218854D+01
      4   0.889907D+00 -0.480975D+01 -0.980134D+01 -0.318675D+00  0.291693D+01
      5  -0.995288D+00  0.170512D+01  0.105192D+01 -0.101468D+01  0.495774D+00
      6  -0.173903D+01 -0.194605D+00  0.402662D+01 -0.350240D+01 -0.140234D+01
                26            27            28            29            30 
      1  -0.354073D+01  0.471290D+01 -0.982811D+01 -0.901350D+00 -0.318093D+01
      2   0.785192D+01  0.904868D+01  0.356697D+01  0.347649D+00  0.193486D+01
      3  -0.431119D+01 -0.137616D+02  0.626114D+01  0.553702D+00  0.124608D+01
      4   0.279666D+01 -0.238642D+00 -0.583985D+01 -0.751226D+00 -0.175140D+01
      5   0.229904D-01 -0.451333D+01 -0.479809D+01 -0.968780D+00 -0.413189D+01
      6   0.206044D+01 -0.214754D+02 -0.234439D+01 -0.855593D-01 -0.250720D+01
                31            32            33            34            35 
      1   0.142943D+01  0.142743D+02 -0.143284D+00 -0.319657D+01  0.251902D+00
      2  -0.487570D-01 -0.147348D+02 -0.177569D+01 -0.437044D+00 -0.218456D+01
      3  -0.138068D+01  0.460488D+00  0.191897D+01  0.363362D+01  0.193266D+01
      4  -0.478197D+01  0.227439D+00 -0.181515D+01  0.106826D+01 -0.802712D+00
      5   0.185625D+01 -0.132265D+01 -0.531948D+01 -0.174432D+01  0.748979D+00
      6   0.655572D-02  0.135802D+01 -0.486122D+01 -0.144875D+01  0.455862D+00
                36            37            38            39            40 
      1   0.576692D+01  0.163033D+02 -0.328632D+01 -0.735830D+00 -0.996916D+00
      2   0.630492D+01 -0.109308D+02  0.297335D+01 -0.133196D+01  0.469059D+00
      3  -0.120718D+02 -0.537243D+01  0.312973D+00  0.206779D+01  0.527857D+00
      4   0.127862D+01 -0.796080D+01  0.105884D+02 -0.146270D+01  0.116671D+02
      5   0.267183D+02  0.194412D+01 -0.207809D+00  0.131285D+02 -0.145623D+01
      6   0.389403D+01 -0.627966D+00  0.198926D+01  0.610312D+01 -0.492825D-01
                41            42            43            44            45 
      1  -0.111623D+02  0.275025D+01  0.527163D+01  0.319638D+01 -0.312334D+01
      2   0.159084D+02 -0.634881D+00 -0.529911D+01 -0.341980D+01 -0.311670D+01
      3  -0.474608D+01 -0.211537D+01  0.274807D-01  0.223418D+00  0.624005D+01
      4  -0.100127D+01  0.895651D+00 -0.402139D+01  0.117412D+01 -0.240706D+01
      5   0.318031D+00  0.519816D+01  0.534861D+01 -0.422595D+00  0.803849D+00
      6  -0.318897D+01  0.875888D+01 -0.629454D+00  0.465403D+01  0.122616D+01
                46            47            48            49            50 
      1  -0.162719D+02  0.859297D+01  0.432321D+01 -0.246166D+01  0.664262D+01
      2   0.149876D+02 -0.968702D+01 -0.113269D+01 -0.229110D+01 -0.179564D+02
      3   0.128433D+01  0.109405D+01 -0.319052D+01  0.475277D+01  0.113137D+02
      4   0.468307D+01 -0.507086D+01  0.343779D+00 -0.104800D+02 -0.983468D+01
      5  -0.557635D-01 -0.455414D-01 -0.924984D+01  0.138662D+01  0.591855D+00
      6  -0.376947D+00 -0.279179D+01 -0.554610D+01  0.739556D+00  0.127946D+01
                51            52            53            54            55 
      1  -0.151781D+00  0.190675D+01  0.521340D-01  0.590991D+01 -0.231173D+02
      2   0.113386D+00  0.531729D+00  0.678869D+01  0.824694D+01  0.168920D+02
      3   0.383950D-01 -0.243848D+01 -0.684082D+01 -0.141568D+02  0.622522D+01
      4   0.128619D+01  0.328717D+01  0.743992D-01  0.818817D+00  0.635761D+01
      5   0.952476D-01 -0.184588D+01 -0.111261D+01 -0.145374D+02 -0.689993D+01
      6  -0.250005D+01 -0.644355D+00 -0.927737D-01 -0.293769D+02  0.682133D+01
                56            57            58            59            60 
      1  -0.290933D+00 -0.502251D+01 -0.642735D+01 -0.877803D+01 -0.350577D+01
      2  -0.464414D+01  0.380884D+01 -0.331354D+01  0.248409D+02  0.236185D+01
      3   0.493507D+01  0.121367D+01  0.974090D+01 -0.160628D+02  0.114392D+01
      4   0.155518D+02  0.486627D+01  0.250310D+02 -0.309366D+02 -0.472657D+01
      5   0.176952D+01  0.472727D+01  0.234561D+01 -0.488516D+01 -0.435460D+01
      6  -0.198884D+01 -0.108762D+01 -0.248579D+01  0.684330D+01  0.975814D+01
                61            62            63            64            65 
      1  -0.972442D+01 -0.221832D+01 -0.489418D+01 -0.506073D+00 -0.406152D+00
      2   0.342535D+01  0.669143D+01  0.135778D+01 -0.224695D+01 -0.522521D+00
      3   0.629907D+01 -0.447311D+01  0.353641D+01  0.275302D+01  0.928673D+00
      4   0.133640D+02 -0.115551D+02 -0.609693D+01 -0.567759D+00  0.333239D+01
      5   0.623709D+01 -0.695554D+01 -0.463311D+01  0.282090D+01 -0.712826D+00
      6  -0.364094D+01  0.106936D+02  0.462778D+01 -0.219449D+01 -0.378083D+00
                66            67            68            69            70 
      1   0.269929D+01 -0.281968D+00 -0.267393D+01  0.187827D+01  0.329913D+01
      2  -0.140207D+01 -0.655612D+00  0.618052D+00 -0.266815D+01 -0.227831D+01
      3  -0.129721D+01  0.937580D+00  0.205588D+01  0.789879D+00 -0.102081D+01
      4  -0.239133D+01  0.320042D+01 -0.106081D+01  0.273005D+01 -0.387059D+01
      5   0.616786D+01  0.533274D-01  0.242963D+01 -0.100802D+00  0.453342D+01
      6   0.641867D+00  0.464815D+00 -0.322153D+01  0.663148D+01 -0.122790D+01
                71            72            73            74            75 
      1   0.290064D+01 -0.145111D+02  0.519506D+02 -0.591281D-01  0.423227D+01
      2  -0.270151D+01 -0.132009D+02 -0.328112D+02 -0.167451D+01 -0.527002D+01
      3  -0.199135D+00  0.277121D+02 -0.191394D+02  0.173364D+01  0.103775D+01
      4   0.431100D+01 -0.130491D+01  0.315838D+01  0.194377D+01  0.191792D+01
      5  -0.179185D+01  0.192533D+02  0.934498D+01  0.166481D+01  0.101516D+02
      6   0.503488D+01 -0.180999D+02  0.129012D+01  0.117986D+01  0.584642D-01
                76            77            78            79            80 
      1  -0.145022D+02 -0.519925D+01 -0.155670D+01  0.157895D+02  0.231192D+01
      2   0.518232D+01 -0.149024D+01  0.179226D+01 -0.100691D+02  0.520994D+00
      3   0.931984D+01  0.668950D+01 -0.235565D+00 -0.572041D+01 -0.283292D+01
      4  -0.973351D+01 -0.272884D+02  0.407490D+01  0.570746D+01  0.793174D+01
      5  -0.134038D+00  0.511458D+01 -0.300940D+01  0.141401D+02  0.426003D+00
      6  -0.379645D+00  0.659457D+00  0.267630D+01  0.192644D+01  0.303691D+01
                81            82            83            84            85 
      1   0.520462D+01  0.209747D+01  0.132452D+01 -0.482679D+01  0.129398D+01
      2  -0.817790D+01 -0.382503D+01 -0.979616D+00  0.254441D+01 -0.784333D+00
      3   0.297327D+01  0.172756D+01 -0.344899D+00  0.228238D+01 -0.509643D+00
      4   0.561893D+00  0.104208D+01  0.783927D+00 -0.784426D+00  0.105621D+01
      5   0.549162D+01 -0.400566D+01 -0.225453D+00  0.550095D+01  0.877854D-01
      6   0.124048D+01 -0.780113D+00  0.373066D+00 -0.635267D+00 -0.798311D+00
                86            87            88            89            90 
      1  -0.429644D+01  0.164068D+01 -0.598625D+01  0.123163D+01 -0.147761D+02
      2   0.748652D+00 -0.111754D+01  0.460615D+01 -0.809536D+00 -0.140366D+02
      3   0.354779D+01 -0.523143D+00  0.138010D+01 -0.422092D+00  0.288127D+02
      4   0.485606D-01 -0.364260D+01 -0.220670D+01 -0.492730D+01  0.112067D+01
      5  -0.387071D+01  0.109188D+01  0.558264D+01  0.193620D+01 -0.273406D+02
      6  -0.181254D+01  0.783676D+01  0.376778D+00  0.484567D+01 -0.830293D+01
                91            92            93            94            95 
      1   0.143236D+01 -0.112371D+01  0.905894D+00 -0.178117D+01 -0.345450D+01
      2  -0.426256D+01  0.152857D+01 -0.116710D+00  0.194586D+01  0.110949D+01
      3   0.283020D+01 -0.404856D+00 -0.789184D+00 -0.164693D+00  0.234502D+01
      4  -0.337817D+00  0.159152D+01  0.231196D+01  0.183147D+01  0.107526D+01
      5   0.829223D+00  0.461012D+00  0.603765D+01 -0.850269D-01  0.709129D+00
      6   0.291100D+01  0.333792D-02 -0.281940D+00  0.306546D+00  0.306942D+01
                96            97            98            99           100 
      1  -0.201386D+01  0.892363D+00 -0.437259D+01 -0.151069D+02  0.103220D+02
      2   0.378850D+01 -0.129574D+01  0.551718D+01 -0.146735D+02 -0.528734D+01
      3  -0.177463D+01  0.403380D+00 -0.114459D+01  0.297804D+02 -0.503464D+01
      4   0.998243D+00  0.339574D+01  0.142356D+01  0.281072D+00  0.178566D+02
      5  -0.286955D+00  0.430018D+01  0.203908D+00  0.510671D+01 -0.184922D+01
      6   0.597196D+01  0.107248D+01  0.487897D+01  0.217540D+02 -0.435743D+01
               101           102           103           104           105 
      1  -0.198704D+02  0.313644D+00 -0.110980D+02 -0.438261D+01  0.477085D+01
      2   0.342285D+02  0.112058D+01  0.211128D+02  0.110437D+02 -0.359952D+01
      3  -0.143581D+02 -0.143422D+01 -0.100148D+02 -0.666112D+01 -0.117133D+01
      4   0.115173D+02 -0.359280D+01  0.116146D+02  0.241588D+02 -0.824570D+00
      5  -0.589226D+00  0.596091D+01 -0.776894D+00 -0.264884D+01  0.202373D+01
      6  -0.111283D+01  0.511819D+01  0.215980D+00 -0.680446D+01  0.795050D+01
               106           107           108           109           110 
      1  -0.676222D+00  0.919973D+01 -0.463660D+01  0.409124D+01  0.234059D+01
      2  -0.322189D+00 -0.135692D+02  0.162941D+01 -0.472521D+01 -0.175928D+01
      3   0.998411D+00  0.436951D+01  0.300719D+01  0.633965D+00 -0.581311D+00
      4  -0.560095D+01 -0.416413D+01  0.481813D+01  0.639524D+01 -0.164281D+02
      5   0.488739D+01  0.277676D+01 -0.101477D+01  0.120204D+02  0.195077D+01
      6   0.572501D+01  0.105475D+02 -0.450071D+01  0.301003D+01  0.244437D+01
               111           112           113           114           115 
      1   0.471055D+01  0.118159D+02 -0.201251D+02  0.221632D+01  0.136237D+02
      2  -0.536843D+01 -0.940553D+01  0.491941D+01  0.352258D+01 -0.411272D+01
      3   0.657886D+00 -0.241042D+01  0.152057D+02 -0.573890D+01 -0.951100D+01
      4   0.316338D+01 -0.280075D+02 -0.164827D+02  0.625494D+01 -0.224659D+01
      5   0.717648D+00 -0.866565D+00  0.707216D+01  0.901051D+00 -0.414878D+01
      6   0.430824D+01  0.710118D+00  0.136024D+01 -0.354275D+01 -0.463961D+00
               116           117           118           119           120 
      1   0.864548D+00  0.816871D+01  0.349666D+01  0.916208D+00 -0.271491D+01
      2   0.168229D+01  0.102750D+02 -0.471022D+01 -0.739914D+00  0.184062D+01
      3  -0.254683D+01 -0.184437D+02  0.121355D+01 -0.176295D+00  0.874286D+00
      4   0.944258D+01 -0.946590D+01  0.615594D+00  0.125237D+01  0.302315D+00
      5  -0.776663D+01 -0.389043D+02 -0.335428D+01  0.214368D+00  0.750175D+01
      6  -0.772425D+00 -0.306834D+01 -0.294274D+00 -0.451911D-01 -0.333744D+00
               121           122           123           124           125 
      1   0.107026D+01 -0.450920D+01 -0.711736D+00 -0.499311D+01  0.101802D+01
      2  -0.919291D+00  0.141664D+01  0.233521D+00  0.619488D+01 -0.110767D-01
      3  -0.150967D+00  0.309256D+01  0.478215D+00 -0.120177D+01 -0.100694D+01
      4   0.170345D+01  0.411802D+00 -0.220013D+01 -0.342429D+00 -0.295271D+01
      5  -0.783255D+00 -0.317640D+01  0.932812D+00  0.688524D+01  0.710099D+00
      6  -0.703803D+00 -0.441719D+00  0.689741D+01  0.786544D+00  0.403800D+01
               126           127           128           129           130 
      1  -0.142617D+02  0.580709D+01 -0.416151D+01  0.121241D+01 -0.968791D+00
      2  -0.143146D+02  0.241657D+01  0.919012D+01 -0.624199D+00  0.692760D+01
      3   0.285763D+02 -0.822366D+01 -0.502861D+01 -0.588213D+00 -0.595881D+01
      4   0.133389D+00  0.669997D+01  0.142894D+02 -0.126837D+00  0.170750D+02
      5  -0.227253D+02 -0.115079D+01 -0.909306D+00  0.557372D+01 -0.123025D+01
      6  -0.263632D+01 -0.565821D+00 -0.192120D+01  0.399547D+01 -0.203062D+00
               131           132           133           134           135 
      1  -0.301540D+02 -0.108030D+01 -0.290444D+00 -0.774772D+01  0.700028D+01
      2   0.565854D+02  0.184233D+01  0.828960D+00  0.664915D+01 -0.172903D+01
      3  -0.264314D+02 -0.762029D+00 -0.538516D+00  0.109857D+01 -0.527125D+01
      4   0.214498D+02 -0.279055D-02  0.103649D+01  0.213858D+01  0.542023D+00
      5   0.977782D-01  0.313209D+00  0.382319D+01 -0.864252D+00  0.858703D+01
      6  -0.359645D-01  0.571586D+01  0.187316D+01 -0.158555D+01  0.303523D+02
               136           137           138           139           140 
      1   0.495845D+00 -0.742741D+00  0.117822D+01 -0.100505D+01 -0.524314D+01
      2  -0.316179D+01  0.723941D+00 -0.242672D+00  0.137298D+01  0.374655D+01
      3   0.266595D+01  0.188007D-01 -0.935547D+00 -0.367930D+00  0.149659D+01
      4  -0.163735D+00  0.295729D+01  0.337878D+01  0.225612D+01  0.183017D+01
      5   0.173024D+01  0.108308D+01  0.700175D+01  0.881074D-01  0.118079D+01
      6   0.418603D+01  0.305410D+00  0.950290D+00  0.154984D+00  0.401382D+01
               141           142           143           144           145 
      1  -0.203547D+01  0.499367D+00 -0.690297D+01 -0.176350D+02  0.445527D+02
      2   0.372273D+01 -0.689866D+00  0.472342D+01 -0.110317D+02 -0.206792D+02
      3  -0.168726D+01  0.190499D+00  0.217955D+01  0.286666D+02 -0.238734D+02
      4   0.101255D+01  0.441149D+01  0.340156D+01  0.121828D+01 -0.333481D+02
      5  -0.504108D-01  0.483946D+01  0.221209D+01  0.111276D+02  0.187908D+01
      6   0.728872D+01  0.176923D+01  0.919859D+01  0.274327D+02 -0.339530D+01
               146           147           148           149           150 
      1  -0.446366D+01  0.404026D+01  0.244013D+01  0.174971D+01  0.520176D+00
      2  -0.267688D+01 -0.162834D+01 -0.355456D+01  0.980674D+00 -0.768346D+00
      3   0.714054D+01 -0.241192D+01  0.111443D+01 -0.273039D+01  0.248169D+00
      4   0.134937D+02 -0.190483D+01  0.415356D+01 -0.221345D+01  0.895334D+00
      5   0.194224D+00  0.602193D+01  0.876401D-02  0.962175D+00 -0.678290D+00
      6  -0.388397D+00 -0.445349D+01 -0.125340D+00 -0.643935D+00  0.420242D+00
               151           152           153           154           155 
      1   0.761732D+01 -0.182864D+00  0.368456D+01  0.154010D+02  0.976118D+01
      2  -0.377442D+01 -0.115901D+01 -0.295348D+01 -0.479316D+01 -0.166183D+01
      3  -0.384291D+01  0.134187D+01 -0.731081D+00 -0.106079D+02 -0.809935D+01
      4  -0.626583D+01  0.280179D+01 -0.385070D+01  0.145923D+02  0.163322D+02
      5   0.716878D+01 -0.165439D+01  0.124040D+01 -0.482267D+00 -0.155530D+00
      6  -0.393820D+01  0.224316D+01 -0.351769D+00  0.879446D-01  0.685512D+00
               156           157           158           159           160 
      1  -0.100241D+01  0.212219D+02  0.100932D+02  0.464960D+00 -0.363801D+01
      2   0.170978D+00 -0.607827D+01  0.589029D+01 -0.137391D+01  0.160778D+01
      3   0.831435D+00 -0.151436D+02 -0.159835D+02  0.908953D+00  0.203023D+01
      4  -0.540058D+00  0.266309D+02  0.360221D+02 -0.116730D+01 -0.322155D+01
      5   0.367026D+01  0.660993D+00 -0.167536D+01  0.577049D+01  0.560155D+01
      6   0.142890D+01  0.128817D+01  0.107643D+01  0.268046D+01  0.237709D+01
               161           162           163           164           165 
      1  -0.127389D+01  0.164065D+01 -0.555588D+01  0.158510D+02 -0.787111D-01
      2  -0.544021D+00 -0.122372D+01  0.941825D+01 -0.252111D+02 -0.469912D+00
      3   0.181791D+01 -0.416936D+00 -0.386237D+01  0.936013D+01  0.548623D+00
      4  -0.423991D+01  0.453702D+01 -0.838996D+01  0.704589D+01  0.101738D+01
      5   0.433947D+01  0.192214D+00  0.433129D+00 -0.709862D+00 -0.516983D+00
      6   0.344917D+01 -0.406318D+00  0.131024D+01 -0.177829D-01 -0.283951D+01
               166           167           168           169           170 
      1   0.759749D+01 -0.271553D+02 -0.556946D+00  0.709180D+00 -0.353538D+01
      2  -0.115149D+02  0.455694D+02  0.160618D+01 -0.127017D+01  0.529703D+01
      3   0.391744D+01 -0.184141D+02 -0.104924D+01  0.560993D+00 -0.176165D+01
      4   0.818451D+01 -0.574352D+01 -0.351826D+00  0.133881D+01 -0.520267D+00
      5  -0.523894D+00  0.822794D+00  0.373128D+00  0.112262D+01 -0.727455D-02
      6  -0.575785D+00  0.911783D+00  0.587297D+01 -0.170255D+01  0.697641D+01
               171           172           173           174           175 
      1  -0.416550D+01  0.608362D+02 -0.838276D+01 -0.677493D+01 -0.873105D+01
      2   0.410944D+01 -0.320190D+02 -0.219478D+01  0.625198D+01  0.756571D+00
      3   0.560525D-01 -0.288172D+02  0.105775D+02  0.522949D+00  0.797448D+01
      4  -0.104232D+01 -0.234225D+02  0.285405D+02  0.882815D+00  0.287669D+02
      5  -0.526737D+00 -0.101753D+02  0.208304D+00  0.129389D+02  0.104619D+01
      6   0.608673D-01  0.913816D+00 -0.731599D+00 -0.430678D+01 -0.495435D+00
               176           177           178           179           180 
      1   0.254292D+02 -0.383236D+01 -0.152762D+02  0.116686D+01  0.760456D+01
      2  -0.158749D+02  0.753647D+00  0.852764D+01  0.164082D+01 -0.991807D+01
      3  -0.955426D+01  0.307871D+01  0.674854D+01 -0.280767D+01  0.231351D+01
      4   0.439944D+01 -0.469573D+01  0.689291D+01 -0.996311D+01 -0.490484D+01
      5  -0.598467D+01 -0.239928D+00  0.180759D+02 -0.518137D+01 -0.630469D+01
      6   0.257614D+01  0.705623D+01 -0.381067D+01  0.471753D+01  0.333235D+01
               181           182           183           184           185 
      1  -0.108311D+01  0.153992D+01  0.794997D+01 -0.188937D+01  0.302300D+00
      2  -0.204246D+01 -0.486074D+00 -0.369374D+01  0.161666D+01 -0.147643D+01
      3   0.312557D+01 -0.105385D+01 -0.425624D+01  0.272716D+00  0.117413D+01
      4   0.137971D+01  0.306278D+01 -0.112025D+00  0.553165D+01  0.281438D+01
      5   0.674349D+01 -0.152637D+00  0.450967D+01 -0.959309D-01  0.528283D+01
      6   0.669022D-02 -0.600109D+00 -0.235168D+00  0.769654D+00  0.906620D+00
               186           187           188           189           190 
      1  -0.116951D+01  0.106564D+02 -0.420371D+01 -0.128898D+02  0.182191D+02
      2   0.430833D+00 -0.888651D+01  0.219234D-01 -0.176955D+02 -0.644410D+01
      3   0.738678D+00 -0.176987D+01  0.418178D+01  0.305853D+02 -0.117750D+02
      4   0.539572D+01  0.511555D-01  0.785082D+01  0.827484D+01  0.161505D+02
      5  -0.240239D+00  0.125913D+02  0.658496D+01  0.466309D+02 -0.424996D+01
      6   0.576621D+01  0.861823D+00  0.532698D+01  0.422558D+01 -0.969414D+00
               191           192           193           194           195 
      1   0.114865D+02 -0.420596D+01  0.167512D+02  0.838582D+01 -0.535879D+00
      2  -0.339824D+01  0.137283D+01 -0.518969D+01  0.605105D+01 -0.134812D+01
      3  -0.808827D+01  0.283313D+01 -0.115615D+02 -0.144369D+02  0.188400D+01
      4   0.176690D+02 -0.191775D+01  0.220100D+02  0.356904D+02 -0.507464D+01
      5  -0.137544D+01  0.483247D+01 -0.134951D+01 -0.467100D+01  0.595327D+01
      6  -0.399161D+00  0.151356D+01 -0.350266D+00 -0.170337D+01  0.322658D+01
               196           197           198           199           200 
      1  -0.853408D+01 -0.138637D+01  0.207676D+01 -0.145961D+01  0.266668D+01
      2   0.390261D+01 -0.531921D+00 -0.232316D+01  0.974248D+00 -0.246769D+01
      3   0.463147D+01  0.191829D+01  0.246400D+00  0.485359D+00 -0.198987D+00
      4  -0.346753D+01 -0.914171D+01  0.692002D+01  0.782224D+00  0.339030D+01
      5   0.700276D+01  0.704576D+01 -0.162789D+01 -0.506703D+00 -0.108669D+01
      6   0.216922D+01  0.391443D+01 -0.197307D+01 -0.294862D+01  0.157996D+01
               201           202           203           204           205 
      1  -0.239638D+01  0.795853D+00 -0.552592D+01  0.285402D+01 -0.183981D+01
      2   0.126779D+01 -0.448702D+00  0.799101D+01 -0.523482D+01 -0.251867D-01
      3   0.112859D+01 -0.347151D+00 -0.246509D+01  0.238079D+01  0.186500D+01
      4  -0.319898D+01  0.237564D+01  0.126174D+01 -0.110032D+01 -0.626149D+01
      5   0.128195D+01 -0.262168D+00 -0.109978D+01  0.126317D+01  0.225811D+01
      6  -0.379929D+01 -0.186468D+00 -0.569973D+01  0.640030D+01  0.379194D+00
               206           207           208           209           210 
      1   0.131034D+02 -0.163281D+02 -0.864275D+01 -0.795159D+01  0.154074D+01
      2  -0.139890D+02  0.552475D+01  0.613839D+01  0.770093D+01 -0.787493D+00
      3   0.885572D+00  0.108033D+02  0.250436D+01  0.250664D+00 -0.753245D+00
      4  -0.532805D+01  0.279707D+01 -0.213742D+00 -0.833735D+01 -0.144167D+00
      5   0.429710D+01 -0.101434D+02  0.145502D+01  0.608347D+00 -0.162960D+01
      6   0.182386D+02 -0.361671D+02 -0.606918D+00 -0.334522D+00  0.207628D+00
               211           212           213           214           215 
      1  -0.161237D+02 -0.145396D+02  0.180269D+01  0.297105D+01  0.188418D+01
      2   0.904058D+01  0.225371D+02 -0.215054D+01 -0.173353D+01 -0.235378D+01
      3   0.708311D+01 -0.799748D+01  0.347854D+00 -0.123752D+01  0.469605D+00
      4   0.471638D+01 -0.343957D+02  0.123409D+01 -0.542498D+00  0.443043D+01
      5   0.169237D+01  0.228240D+01 -0.693620D+01  0.215317D+01 -0.422488D+01
      6  -0.251203D-01 -0.121388D+01  0.321970D+01 -0.822477D-01  0.419742D+01
               216 
      1  -0.192340D+01
      2   0.972115D+00
      3   0.951282D+00
      4  -0.360143D+01
      5  -0.399817D+00
      6  -0.541406D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x         -0.113013D+01     -0.287250D+01     -0.958162D+01
   y         -0.243536D+00     -0.619006D+00     -0.206478D+01
   z          0.571690D+00      0.145309D+01      0.484699D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.102821D+03      0.152364D+02      0.169528D+02
   yx         0.208616D+01      0.309137D+00      0.343962D+00
   yy         0.978111D+02      0.144941D+02      0.161269D+02
   zx         0.263270D+00      0.390126D-01      0.434074D-01
   zy        -0.338801D+00     -0.502051D-01     -0.558608D-01
   zz         0.781635D+02      0.115826D+02      0.128874D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100561D+03      0.149016D+02      0.165803D+02
   aniso      0.235155D+02      0.348464D+01      0.387718D+01
   xx         0.110911D+03      0.164353D+02      0.182867D+02
   yx         0.141163D+01      0.209182D+00      0.232747D+00
   yy         0.105469D+03      0.156289D+02      0.173895D+02
   zx         0.338110D+00      0.501028D-01      0.557468D-01
   zy        -0.473741D+00     -0.702011D-01     -0.781093D-01
   zz         0.853039D+02      0.126407D+02      0.140647D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.54266994          2.02535122          1.29161337
     6         -0.95635198         -0.26567440          2.91046175
     6          0.42874544          2.32943939         -0.77478669
     6          0.65713622         -0.12673095         -2.26956908
     8          1.21589653         -2.17742244         -0.58644082
     6         -0.67563164         -2.60931000          1.24545992
     8         -1.56754017          4.29978237          2.72019065
     1         -3.39174972          1.73724001          0.39438122
     8         -2.95553432         -0.54377077          4.67341486
     1          0.84941378          0.04563134          3.88969116
     1          2.25641581          2.74168966          0.11881756
     8         -0.24524049          4.28506982         -2.47289372
     6          2.76466779         -0.07912372         -4.20702944
     1         -1.13859687         -0.50644186         -3.23503627
     8         -0.01798028         -4.73711711          2.66030487
     1         -2.48581180         -3.06093689          0.34406462
     1         -2.78128510          4.10303366          4.06586480
     1         -2.70414890         -2.11045991          5.57229880
     1         -0.69008841          5.74227380         -1.46977825
     8          2.87030051         -2.35536506         -5.60838635
     1          4.55977624          0.28839379         -3.23345777
     1          2.42446799          1.44801353         -5.54191629
     1          1.70184111         -4.51586438          3.23634673
     1          2.94517143         -3.72569013         -4.40770545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128970D+01      0.327809D+01      0.109345D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.838819D+02      0.124300D+02      0.138303D+02
   yx        -0.282562D+01     -0.418713D+00     -0.465881D+00
   yy         0.965736D+02      0.143107D+02      0.159228D+02
   zx        -0.973500D+01     -0.144258D+01     -0.160508D+01
   zy        -0.307035D+01     -0.454979D+00     -0.506233D+00
   zz         0.983397D+02      0.145724D+02      0.162140D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100561D+03      0.149016D+02      0.165803D+02
   aniso      0.235155D+02      0.348464D+01      0.387718D+01
   xx         0.913980D+02      0.135438D+02      0.150695D+02
   yx        -0.336450D+01     -0.498568D+00     -0.554731D+00
   yy         0.104317D+03      0.154582D+02      0.171995D+02
   zx        -0.101342D+02     -0.150174D+01     -0.167091D+01
   zy        -0.257810D+01     -0.382035D+00     -0.425072D+00
   zz         0.105969D+03      0.157030D+02      0.174719D+02

 ----------------------------------------------------------------------
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 SOME THINGS ARE EASY, THEY ARE ONLY HARD TO DO.
            -- A. EINSTEIN TO J. O. HIRSCHFELDER
 THE ONLY TROUBLE WITH A SURE THING IS THE UNCERTAINTY.
     -- FROM A TEABAG (BELONGING TO W.H.?)
 Job cpu time:       0 days  5 hours  5 minutes 10.3 seconds.
 Elapsed time:       0 days  0 hours 38 minutes 11.1 seconds.
 File lengths (MBytes):  RWF=    411 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:55:00 2021.
